TL;DR: N-[(4-methylpiperidin-1-yl)carbonyl]-L-phenylalanine (CAS 159631-68-2) is a chemical compound with molecular formula C16H22N2O3 and molecular weight 290.16306 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[(4-methylpiperidine-1-carbonyl)amino]-3-phenylpropanoic acid
Also Known As: N-[(4-methylpiperidin-1-yl)carbonyl]-L-phenylalanine, (S)-2-(4-methylpiperidine-1-carboxamido)-3-phenylpropanoic acid, (2S)-2-[(4-methylpiperidine-1-carbonyl)amino]-3-phenylpropanoic acid
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C16H22N2O3 |
| Molecular Weight | 290.16306 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 69.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 290.16306 Da |
| Heavy Atoms | 21 |
| Complexity | 359.0 |
| SMILES | CC1CCN(CC1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O |
| InChIKey | VJDVLOUDGWDIQH-AWEZNQCLSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(4-methylpiperidin-1-yl)carbonyl]-L-phenylalanine. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(4-methylpiperidin-1-yl)carbonyl]-L-phenylalanine. Following Lipinski's Rule of Five, N-[(4-methylpiperidin-1-yl)carbonyl]-L-phenylalanine has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-[(4-methylpiperidin-1-yl)carbonyl]-L-phenylalanine is 159631-68-2.
The molecular formula of N-[(4-methylpiperidin-1-yl)carbonyl]-L-phenylalanine is C16H22N2O3.
The molecular weight of N-[(4-methylpiperidin-1-yl)carbonyl]-L-phenylalanine is 290.16306 g/mol.
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