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

• ChemBase ID: 687884
• Molecular Formular: C24H26N2O2
• Molecular Mass: 374.47544
• Monoisotopic Mass: 374.19942808
• SMILES: C(=O)(Nc1cc(c2occc2)ccc1)C1CCN(CC1)CCc1ccccc1
• Canonical SMILES: O=C(C1CCN(CC1)CCc1ccccc1)Nc1cccc(c1)c1ccco1
• InChI: InChI=1S/C24H26N2O2/c27-24(25-22-9-4-8-21(18-22)23-10-5-17-28-23)20-12-15-26(16-13-20)14-11-19-6-2-1-3-7-19/h1-10,17-18,20H,11-16H2,(H,25,27)
• InChIKey: HWLHOXUQGSEEGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.77814
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1337347
• LogD (pH = 7.4): 2.6299114
• Log P: 4.4181886
• Molar Refractivity: 113.542 cm^3
• Polarizability: 44.44203 Å^3
• Polar Surface Area: 45.48 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: 4.42
• LOG S: -5.57
• Polar Surface Area: 45.48 Å^2
• Rotatable Bonds: 6