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

• ChemBase ID: 822014
• Molecular Formular: C23H25FN2O2
• Molecular Mass: 380.4552032
• Monoisotopic Mass: 380.19000627
• SMILES: N1(C(=O)C2CCC2)CC(C(=O)Nc2cc(c3ccc(cc3)F)ccc2)CCC1
• Canonical SMILES: O=C(C1CCCN(C1)C(=O)C1CCC1)Nc1cccc(c1)c1ccc(cc1)F
• InChI: InChI=1S/C23H25FN2O2/c24-20-11-9-16(10-12-20)18-6-2-8-21(14-18)25-22(27)19-7-3-13-26(15-19)23(28)17-4-1-5-17/h2,6,8-12,14,17,19H,1,3-5,7,13,15H2,(H,25,27)
• InChIKey: ISILGTRWLVONII-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.835087
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.0946755
• LogD (pH = 7.4): 4.094676
• Log P: 4.094676
• Molar Refractivity: 108.1173 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: 3.99
• LOG S: -5.73
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 4