Methyl 1-(4-chloro-3-methyl-3-pentenyl)-4-((1-oxopropyl)phenylamino)-3-piperidinecarboxylate
TL;DR: Methyl 1-(4-chloro-3-methyl-3-pentenyl)-4-((1-oxopropyl)phenylamino)-3-piperidinecarboxylate (CAS 156724-54-8) is a chemical compound with molecular formula C22H31ClN2O3 and molecular weight 406.20233 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 1-[(Z)-4-chloro-3-methylpent-3-enyl]-4-(N-propanoylanilino)piperidine-3-carboxylate
Also Known As: Methyl 1-(4-chloro-3-methyl-3-pentenyl)-4-((1-oxopropyl)phenylamino)-3-piperidinecarboxylate, 3-Piperidinecarboxylic acid, 1-(4-chloro-3-methyl-3-pentenyl)-4-((1-oxopropyl)phenylamino)-, methyl ester, methyl 1-[(Z)-4-chloro-3-methylpent-3-enyl]-4-(N-propanoylanilino)piperidine-3-carboxylate
Technical Specifications
| Molecular Formula | C22H31ClN2O3 |
| Molecular Weight | 406.20233 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 49.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 406.20233 Da |
| Heavy Atoms | 28 |
| Complexity | 572.0 |
| SMILES | CCC(=O)N(C1CCN(CC1C(=O)OC)CC/C(=C(/C)\Cl)/C)C2=CC=CC=C2 |
| InChIKey | SSNYLCDPBASQER-MSUUIHNZSA-N |
Chemical Property Profile of Methyl 1-(4-chloro-3-methyl-3-pentenyl)-4-((1-oxopropyl)phenylamino)-3-piperidinecarboxylate
Property Insights of Methyl 1-(4-chloro-3-methyl-3-pentenyl)-4-((1-oxopropyl)phenylamino)-3-piperidinecarboxylate
The XLogP value of 4.2 indicates that Methyl 1-(4-chloro-3-methyl-3-pentenyl)-4-((1-oxopropyl)phenylamino)-3-piperidinecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.9 Ų, Methyl 1-(4-chloro-3-methyl-3-pentenyl)-4-((1-oxopropyl)phenylamino)-3-piperidinecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 1-(4-chloro-3-methyl-3-pentenyl)-4-((1-oxopropyl)phenylamino)-3-piperidinecarboxylate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl 1-(4-chloro-3-methyl-3-pentenyl)-4-((1-oxopropyl)phenylamino)-3-piperidinecarboxylate?
The CAS number of Methyl 1-(4-chloro-3-methyl-3-pentenyl)-4-((1-oxopropyl)phenylamino)-3-piperidinecarboxylate is 156724-54-8.
What is the molecular formula of Methyl 1-(4-chloro-3-methyl-3-pentenyl)-4-((1-oxopropyl)phenylamino)-3-piperidinecarboxylate?
The molecular formula of Methyl 1-(4-chloro-3-methyl-3-pentenyl)-4-((1-oxopropyl)phenylamino)-3-piperidinecarboxylate is C22H31ClN2O3.
What is the molecular weight of Methyl 1-(4-chloro-3-methyl-3-pentenyl)-4-((1-oxopropyl)phenylamino)-3-piperidinecarboxylate?
The molecular weight of Methyl 1-(4-chloro-3-methyl-3-pentenyl)-4-((1-oxopropyl)phenylamino)-3-piperidinecarboxylate is 406.20233 g/mol.
Where can I buy Methyl 1-(4-chloro-3-methyl-3-pentenyl)-4-((1-oxopropyl)phenylamino)-3-piperidinecarboxylate?
You can request a quote for Methyl 1-(4-chloro-3-methyl-3-pentenyl)-4-((1-oxopropyl)phenylamino)-3-piperidinecarboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 1-(4-chloro-3-methyl-3-pentenyl)-4-((1-oxopropyl)phenylamino)-3-piperidinecarboxylate?
Yes, CoreyChem provides custom synthesis services for Methyl 1-(4-chloro-3-methyl-3-pentenyl)-4-((1-oxopropyl)phenylamino)-3-piperidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.