TL;DR: ISONIPECOTIC ACID, 4-PHENYL-1-p-TOLYLCARBAMOYL-, ETHYL ESTER (CAS 102395-71-1) is a chemical compound with molecular formula C22H26N2O3 and molecular weight 366.19434 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 1-[(4-methylphenyl)carbamoyl]-4-phenylpiperidine-4-carboxylate
Also Known As: 4-Phenyl-1-p-tolylcarbamoylisonipecotic acid ethyl ester, ethyl 1-[(4-methylphenyl)carbamoyl]-4-phenylpiperidine-4-carboxylate, 4-22-00-01033 (Beilstein Handbook Reference), ISONIPECOTIC ACID, 4-PHENYL-1-p-TOLYLCARBAMOYL-, ETHYL ESTER, ETHYL 1-[(4-METHYLPHENYL)CARBAMOYL]-4-PHENYL-PIPERIDINE-4-CARBOXYLATE
| Molecular Formula | C22H26N2O3 |
| Molecular Weight | 366.19434 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 366.19434 Da |
| Heavy Atoms | 27 |
| Complexity | 500.0 |
| SMILES | CCOC(=O)C1(CCN(CC1)C(=O)NC2=CC=C(C=C2)C)C3=CC=CC=C3 |
| InChIKey | BHCFALRDIZKTII-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that ISONIPECOTIC ACID, 4-PHENYL-1-p-TOLYLCARBAMOYL-, ETHYL ESTER is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.6 Ų, ISONIPECOTIC ACID, 4-PHENYL-1-p-TOLYLCARBAMOYL-, ETHYL ESTER exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ISONIPECOTIC ACID, 4-PHENYL-1-p-TOLYLCARBAMOYL-, 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.
The CAS number of ISONIPECOTIC ACID, 4-PHENYL-1-p-TOLYLCARBAMOYL-, ETHYL ESTER is 102395-71-1.
The molecular formula of ISONIPECOTIC ACID, 4-PHENYL-1-p-TOLYLCARBAMOYL-, ETHYL ESTER is C22H26N2O3.
The molecular weight of ISONIPECOTIC ACID, 4-PHENYL-1-p-TOLYLCARBAMOYL-, ETHYL ESTER is 366.19434 g/mol.
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