N-(2-fluorophenyl)-3-(4-phenylbenzoyl)piperidine-1-carboxamide

• ChemBase ID: 784433
• Molecular Formular: C25H23FN2O2
• Molecular Mass: 402.4607232
• Monoisotopic Mass: 402.17435621
• SMILES: C(=O)(N1CC(C(=O)c2ccc(cc2)c2ccccc2)CCC1)Nc1c(F)cccc1
• Canonical SMILES: O=C(N1CCCC(C1)C(=O)c1ccc(cc1)c1ccccc1)Nc1ccccc1F
• InChI: InChI=1S/C25H23FN2O2/c26-22-10-4-5-11-23(22)27-25(30)28-16-6-9-21(17-28)24(29)20-14-12-19(13-15-20)18-7-2-1-3-8-18/h1-5,7-8,10-15,21H,6,9,16-17H2,(H,27,30)
• InChIKey: QEGOONMHGDFPCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-fluorophenyl)-3-(4-phenylbenzoyl)piperidine-1-carboxamide
• IUPAC Traditional name: N-(2-fluorophenyl)-3-(4-phenylbenzoyl)piperidine-1-carboxamide
• Synonyms: 3-(4-biphenylylcarbonyl)-N-(2-fluorophenyl)-1-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.426093
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 5.0979466
• LogD (pH = 7.4): 5.0979085
• Log P: 5.097947
• Molar Refractivity: 116.7887 cm^3
• Polarizability: 45.06886 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 4.88
• LOG S: -6.81
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 4