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

• ChemBase ID: 768410
• Molecular Formular: C23H28N2O2
• Molecular Mass: 364.48062
• Monoisotopic Mass: 364.21507815
• SMILES: C(=O)(C1CN(C2CCC2)CCC1)Nc1ccc(c2cc(OC)ccc2)cc1
• Canonical SMILES: COc1cccc(c1)c1ccc(cc1)NC(=O)C1CCCN(C1)C1CCC1
• InChI: InChI=1S/C23H28N2O2/c1-27-22-9-2-5-18(15-22)17-10-12-20(13-11-17)24-23(26)19-6-4-14-25(16-19)21-7-3-8-21/h2,5,9-13,15,19,21H,3-4,6-8,14,16H2,1H3,(H,24,26)
• InChIKey: OGCSYCJABBUENG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.922837
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.856369
• LogD (pH = 7.4): 2.1036565
• Log P: 4.2531767
• Molar Refractivity: 109.9049 cm^3
• Polarizability: 43.520645 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 4.6
• LOG S: -4.85
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 4