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

• ChemBase ID: 341580
• Molecular Formular: C21H23FN2O2
• Molecular Mass: 354.4179232
• Monoisotopic Mass: 354.17435621
• SMILES: N1(C(=O)CC)CC(C(=O)Nc2ccc(c3cc(F)ccc3)cc2)CCC1
• Canonical SMILES: CCC(=O)N1CCCC(C1)C(=O)Nc1ccc(cc1)c1cccc(c1)F
• InChI: InChI=1S/C21H23FN2O2/c1-2-20(25)24-12-4-6-17(14-24)21(26)23-19-10-8-15(9-11-19)16-5-3-7-18(22)13-16/h3,5,7-11,13,17H,2,4,6,12,14H2,1H3,(H,23,26)
• InChIKey: HSTSZCULWLLNQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.918217
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.5708468
• LogD (pH = 7.4): 3.5708468
• Log P: 3.570847
• Molar Refractivity: 100.744 cm^3
• Polarizability: 39.168835 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: 3.61
• LOG S: -5.12
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 3