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

• ChemBase ID: 449537
• Molecular Formular: C23H25FN2O3
• Molecular Mass: 396.4546032
• Monoisotopic Mass: 396.18492089
• SMILES: N1(C(=O)CCC(=O)C)CC(C(=O)Nc2ccc(c3cc(F)ccc3)cc2)CCC1
• Canonical SMILES: CC(=O)CCC(=O)N1CCCC(C1)C(=O)Nc1ccc(cc1)c1cccc(c1)F
• InChI: InChI=1S/C23H25FN2O3/c1-16(27)7-12-22(28)26-13-3-5-19(15-26)23(29)25-21-10-8-17(9-11-21)18-4-2-6-20(24)14-18/h2,4,6,8-11,14,19H,3,5,7,12-13,15H2,1H3,(H,25,29)
• InChIKey: UNPUCITZHRDKEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.918208
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.0247993
• LogD (pH = 7.4): 3.0247993
• Log P: 3.0247993
• Molar Refractivity: 110.5615 cm^3
• Polarizability: 42.92576 Å^3
• Polar Surface Area: 66.48 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.59
• LOG S: -5.24
• Polar Surface Area: 66.48 Å^2
• Rotatable Bonds: 6