TL;DR: [(1-Cyanocyclohexyl)carbamoyl]methyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate (CAS 1002212-23-8) is a chemical compound with molecular formula C22H26FN3O4 and molecular weight 415.19073 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
Also Known As: [(1-cyanocyclohexyl)carbamoyl]methyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate|[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate|EN300-26686717|Z16814933
| Molecular Formula | C22H26FN3O4 |
| Molecular Weight | 415.19073 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 99.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.19073 Da |
| Heavy Atoms | 30 |
| Complexity | 682.0 |
| SMILES | C1CCC(CC1)(C#N)NC(=O)COC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)F |
| InChIKey | LTFLEOMUMPAZGO-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(1-Cyanocyclohexyl)carbamoyl]methyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate. The TPSA of 99.5 Ų falls within the moderate polarity range, balancing permeability and solubility for [(1-Cyanocyclohexyl)carbamoyl]methyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate. Following Lipinski's Rule of Five, [(1-Cyanocyclohexyl)carbamoyl]methyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of [(1-Cyanocyclohexyl)carbamoyl]methyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate is 1002212-23-8.
The molecular formula of [(1-Cyanocyclohexyl)carbamoyl]methyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate is C22H26FN3O4.
The molecular weight of [(1-Cyanocyclohexyl)carbamoyl]methyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate is 415.19073 g/mol.
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