N-[4-(furan-2-yl)phenyl]-1-(2-oxo-2-phenylacetyl)piperidine-3-carboxamide

• ChemBase ID: 376422
• Molecular Formular: C24H22N2O4
• Molecular Mass: 402.44248
• Monoisotopic Mass: 402.15795719
• SMILES: C(=O)(N1CC(C(=O)Nc2ccc(c3occc3)cc2)CCC1)C(=O)c1ccccc1
• Canonical SMILES: O=C(C1CCCN(C1)C(=O)C(=O)c1ccccc1)Nc1ccc(cc1)c1ccco1
• InChI: InChI=1S/C24H22N2O4/c27-22(18-6-2-1-3-7-18)24(29)26-14-4-8-19(16-26)23(28)25-20-12-10-17(11-13-20)21-9-5-15-30-21/h1-3,5-7,9-13,15,19H,4,8,14,16H2,(H,25,28)
• InChIKey: PHZLMBNUCZTMTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(furan-2-yl)phenyl]-1-(2-oxo-2-phenylacetyl)piperidine-3-carboxamide
• IUPAC Traditional name: N-[4-(furan-2-yl)phenyl]-1-(2-oxo-2-phenylacetyl)piperidine-3-carboxamide
• Synonyms: N-[4-(2-furyl)phenyl]-1-[oxo(phenyl)acetyl]-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.626045
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.501689
• LogD (pH = 7.4): 3.5016887
• Log P: 3.501689
• Molar Refractivity: 113.9036 cm^3
• Polarizability: 44.191162 Å^3
• Polar Surface Area: 79.62 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.77
• LOG S: -5.69
• Polar Surface Area: 79.62 Å^2
• Rotatable Bonds: 5