1-benzoyl-N-[3-(4-fluorophenyl)phenyl]piperidine-3-carboxamide

• ChemBase ID: 567712
• Molecular Formular: C25H23FN2O2
• Molecular Mass: 402.4607232
• Monoisotopic Mass: 402.17435621
• SMILES: N1(C(=O)c2ccccc2)CC(C(=O)Nc2cc(c3ccc(cc3)F)ccc2)CCC1
• Canonical SMILES: O=C(C1CCCN(C1)C(=O)c1ccccc1)Nc1cccc(c1)c1ccc(cc1)F
• InChI: InChI=1S/C25H23FN2O2/c26-22-13-11-18(12-14-22)20-8-4-10-23(16-20)27-24(29)21-9-5-15-28(17-21)25(30)19-6-2-1-3-7-19/h1-4,6-8,10-14,16,21H,5,9,15,17H2,(H,27,29)
• InChIKey: FCGWRFQXERGJSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzoyl-N-[3-(4-fluorophenyl)phenyl]piperidine-3-carboxamide
• IUPAC Traditional name: 1-benzoyl-N-[3-(4-fluorophenyl)phenyl]piperidine-3-carboxamide
• Synonyms: 1-benzoyl-N-(4'-fluoro-3-biphenylyl)-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.835078
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.7244854
• LogD (pH = 7.4): 4.7244854
• Log P: 4.7244854
• Molar Refractivity: 116.7876 cm^3
• Polarizability: 44.866474 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 4.72
• LOG S: -6.9
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 4