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

• ChemBase ID: 378002
• Molecular Formular: C23H25FN2O2
• Molecular Mass: 380.4552032
• Monoisotopic Mass: 380.19000627
• SMILES: N1(C(=O)C2(CC2)C)CC(C(=O)Nc2cc(c3ccc(cc3)F)ccc2)CCC1
• Canonical SMILES: O=C(C1CCCN(C1)C(=O)C1(C)CC1)Nc1cccc(c1)c1ccc(cc1)F
• InChI: InChI=1S/C23H25FN2O2/c1-23(11-12-23)22(28)26-13-3-5-18(15-26)21(27)25-20-6-2-4-17(14-20)16-7-9-19(24)10-8-16/h2,4,6-10,14,18H,3,5,11-13,15H2,1H3,(H,25,27)
• InChIKey: BMHHMCULNGKHHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.835087
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.206121
• LogD (pH = 7.4): 4.2061214
• Log P: 4.2061214
• Molar Refractivity: 108.0173 cm^3
• Polarizability: 42.1224 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: 3.95
• LOG S: -5.5
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 4