TL;DR: N-(2,5-Dichlorophenyl)-3-(piperidin-1-yl)butanimidic acid (CAS 108839-71-0) is a chemical compound with molecular formula C15H20Cl2N2O and molecular weight 314.09528 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2,5-dichlorophenyl)-3-piperidin-1-ylbutanamide
Also Known As: 2',5'-Dichloro-beta-methyl-1-piperidinepropionanilide, 4-20-00-01061 (Beilstein Handbook Reference), 1-Piperidinepropionanilide, 2',5'-dichloro-beta-methyl-, N-(2,5-dichlorophenyl)-3-piperidin-1-ylbutanamide, N-(2,5-Dichlorophenyl)-3-(piperidin-1-yl)butanimidic acid
| Molecular Formula | C15H20Cl2N2O |
| Molecular Weight | 314.09528 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.09528 Da |
| Heavy Atoms | 20 |
| Complexity | 321.0 |
| SMILES | CC(CC(=O)NC1=C(C=CC(=C1)Cl)Cl)N2CCCCC2 |
| InChIKey | VPLQSZHECBNQKM-UHFFFAOYSA-N |
The XLogP value of 3.4 indicates that N-(2,5-Dichlorophenyl)-3-(piperidin-1-yl)butanimidic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.3 Ų, N-(2,5-Dichlorophenyl)-3-(piperidin-1-yl)butanimidic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2,5-Dichlorophenyl)-3-(piperidin-1-yl)butanimidic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-(2,5-Dichlorophenyl)-3-(piperidin-1-yl)butanimidic acid is 108839-71-0.
The molecular formula of N-(2,5-Dichlorophenyl)-3-(piperidin-1-yl)butanimidic acid is C15H20Cl2N2O.
The molecular weight of N-(2,5-Dichlorophenyl)-3-(piperidin-1-yl)butanimidic acid is 314.09528 g/mol.
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