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

• ChemBase ID: 428889
• Molecular Formular: C23H28N2O2
• Molecular Mass: 364.48062
• Monoisotopic Mass: 364.21507815
• SMILES: C(=O)(Nc1c(c2cc(OC)ccc2)cccc1)C1CCN(CC1)C1CCC1
• Canonical SMILES: COc1cccc(c1)c1ccccc1NC(=O)C1CCN(CC1)C1CCC1
• InChI: InChI=1S/C23H28N2O2/c1-27-20-9-4-6-18(16-20)21-10-2-3-11-22(21)24-23(26)17-12-14-25(15-13-17)19-7-5-8-19/h2-4,6,9-11,16-17,19H,5,7-8,12-15H2,1H3,(H,24,26)
• InChIKey: WOJNFWXGRSGCGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.3565855
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.73577535
• LogD (pH = 7.4): 2.0859532
• Log P: 4.0972695
• Molar Refractivity: 110.0589 cm^3
• Polarizability: 43.524223 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: 2.68
• LOG S: -4.47
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 4