TL;DR: 3-Piperidinecarboxylic acid, 1-(2-(1-cyclohexen-1-yl)ethyl)-4-((1-oxopropyl)phenylamino)-, methyl ester (CAS 156724-49-1) is a chemical compound with molecular formula C24H34N2O3 and molecular weight 398.25696 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 1-[2-(cyclohexen-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-3-carboxylate
Also Known As: 3-Piperidinecarboxylic acid, 1-(2-(1-cyclohexen-1-yl)ethyl)-4-((1-oxopropyl)phenylamino)-, methyl ester, Methyl 1-[2-(1-cyclohexenyl)ethyl]-4-(phenyl-propanoyl-amino)piperidine-3-carboxylate, Methyl 1-[2-(cyclohex-1-en-1-yl)ethyl]-4-(N-phenylpropanamido)piperidine-3-carboxylate, Methyl 1-[2-(cyclohex-1-en-1-yl)ethyl]-4-[phenyl(propanoyl)amino]piperidine-3-carboxylate, methyl 1-[2-(cyclohexen-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-3-carboxylate
| Molecular Formula | C24H34N2O3 |
| Molecular Weight | 398.25696 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 49.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 398.25696 Da |
| Heavy Atoms | 29 |
| Complexity | 583.0 |
| SMILES | CCC(=O)N(C1CCN(CC1C(=O)OC)CCC2=CCCCC2)C3=CC=CC=C3 |
| InChIKey | BGQYYMLKBCTSJW-UHFFFAOYSA-N |
The XLogP value of 3.9 indicates that 3-Piperidinecarboxylic acid, 1-(2-(1-cyclohexen-1-yl)ethyl)-4-((1-oxopropyl)phenylamino)-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.9 Ų, 3-Piperidinecarboxylic acid, 1-(2-(1-cyclohexen-1-yl)ethyl)-4-((1-oxopropyl)phenylamino)-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Piperidinecarboxylic acid, 1-(2-(1-cyclohexen-1-yl)ethyl)-4-((1-oxopropyl)phenylamino)-, methyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-Piperidinecarboxylic acid, 1-(2-(1-cyclohexen-1-yl)ethyl)-4-((1-oxopropyl)phenylamino)-, methyl ester is 156724-49-1.
The molecular formula of 3-Piperidinecarboxylic acid, 1-(2-(1-cyclohexen-1-yl)ethyl)-4-((1-oxopropyl)phenylamino)-, methyl ester is C24H34N2O3.
The molecular weight of 3-Piperidinecarboxylic acid, 1-(2-(1-cyclohexen-1-yl)ethyl)-4-((1-oxopropyl)phenylamino)-, methyl ester is 398.25696 g/mol.
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