1-(cyclohexylmethyl)-N-(diphenylmethyl)-6-oxopiperidine-3-carboxamide

• ChemBase ID: 565912
• Molecular Formular: C26H32N2O2
• Molecular Mass: 404.54448
• Monoisotopic Mass: 404.24637827
• SMILES: N1(C(=O)CCC(C(=O)NC(c2ccccc2)c2ccccc2)C1)CC1CCCCC1
• Canonical SMILES: O=C(C1CCC(=O)N(C1)CC1CCCCC1)NC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C26H32N2O2/c29-24-17-16-23(19-28(24)18-20-10-4-1-5-11-20)26(30)27-25(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h2-3,6-9,12-15,20,23,25H,1,4-5,10-11,16-19H2,(H,27,30)
• InChIKey: FIWSLEAJGQNMHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclohexylmethyl)-N-(diphenylmethyl)-6-oxopiperidine-3-carboxamide
• IUPAC Traditional name: 1-(cyclohexylmethyl)-N-(diphenylmethyl)-6-oxopiperidine-3-carboxamide
• Synonyms: 1-(cyclohexylmethyl)-N-(diphenylmethyl)-6-oxo-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.511958
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.507017
• LogD (pH = 7.4): 4.507017
• Log P: 4.5070176
• Molar Refractivity: 119.2008 cm^3
• Polarizability: 46.67001 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 4.71
• LOG S: -5.43
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 6