Nipecotic acid, 1-(3-indolylmethyl)-, ethyl ester
TL;DR: Nipecotic acid, 1-(3-indolylmethyl)-, ethyl ester (CAS 101602-77-1) is a chemical compound with molecular formula C17H22N2O2 and molecular weight 286.16812 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 1-(1H-indol-3-ylmethyl)piperidine-3-carboxylate
Also Known As: 1-(3-Indolylmethyl)nipecotic acid ethyl ester, Ethyl 1-((1H-indol-3-yl)methyl)piperidine-3-carboxylate, NIPECOTIC ACID, 1-(3-INDOLYLMETHYL)-, ETHYL ESTER, 4-22-00-04311 (Beilstein Handbook Reference), ethyl 1-(1H-indol-3-ylmethyl)piperidine-3-carboxylate
Technical Specifications
| Molecular Formula | C17H22N2O2 |
| Molecular Weight | 286.16812 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 45.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 286.16812 Da |
| Heavy Atoms | 21 |
| Complexity | 361.0 |
| SMILES | CCOC(=O)C1CCCN(C1)CC2=CNC3=CC=CC=C32 |
| InChIKey | KQXOXXXVFSNDET-UHFFFAOYSA-N |
Chemical Property Profile of Nipecotic acid, 1-(3-indolylmethyl)-, ethyl ester
Property Insights of Nipecotic acid, 1-(3-indolylmethyl)-, ethyl ester
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nipecotic acid, 1-(3-indolylmethyl)-, ethyl ester. With a topological polar surface area (TPSA) of 45.3 Ų, Nipecotic acid, 1-(3-indolylmethyl)-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nipecotic acid, 1-(3-indolylmethyl)-, ethyl ester has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Nipecotic acid, 1-(3-indolylmethyl)-, ethyl ester?
The CAS number of Nipecotic acid, 1-(3-indolylmethyl)-, ethyl ester is 101602-77-1.
What is the molecular formula of Nipecotic acid, 1-(3-indolylmethyl)-, ethyl ester?
The molecular formula of Nipecotic acid, 1-(3-indolylmethyl)-, ethyl ester is C17H22N2O2.
What is the molecular weight of Nipecotic acid, 1-(3-indolylmethyl)-, ethyl ester?
The molecular weight of Nipecotic acid, 1-(3-indolylmethyl)-, ethyl ester is 286.16812 g/mol.
Where can I buy Nipecotic acid, 1-(3-indolylmethyl)-, ethyl ester?
You can request a quote for Nipecotic acid, 1-(3-indolylmethyl)-, ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Nipecotic acid, 1-(3-indolylmethyl)-, ethyl ester?
Yes, CoreyChem provides custom synthesis services for Nipecotic acid, 1-(3-indolylmethyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.