1-cyclohexyl-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide

• ChemBase ID: 779071
• Molecular Formular: C25H32N2O2
• Molecular Mass: 392.53378
• Monoisotopic Mass: 392.24637827
• SMILES: C(=O)(C1CN(C2CCCCC2)CCC1)Nc1c(c2ccc(cc2)OC)cccc1
• Canonical SMILES: COc1ccc(cc1)c1ccccc1NC(=O)C1CCCN(C1)C1CCCCC1
• InChI: InChI=1S/C25H32N2O2/c1-29-22-15-13-19(14-16-22)23-11-5-6-12-24(23)26-25(28)20-8-7-17-27(18-20)21-9-3-2-4-10-21/h5-6,11-16,20-21H,2-4,7-10,17-18H2,1H3,(H,26,28)
• InChIKey: VETFXSZOAQDQLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclohexyl-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide
• IUPAC Traditional name: 1-cyclohexyl-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide
• Synonyms: 1-cyclohexyl-N-(4'-methoxy-2-biphenylyl)-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.338786
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.6596119
• LogD (pH = 7.4): 2.2931151
• Log P: 5.142314
• Molar Refractivity: 119.1069 cm^3
• Polarizability: 47.214157 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 4.69
• LOG S: -5.13
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 4