N-[3-(furan-2-yl)phenyl]-1-[(2E)-3-phenylprop-2-en-1-yl]piperidine-4-carboxamide

• ChemBase ID: 587795
• Molecular Formular: C25H26N2O2
• Molecular Mass: 386.48614
• Monoisotopic Mass: 386.19942808
• SMILES: C(=O)(Nc1cc(c2occc2)ccc1)C1CCN(CC1)C/C=C/c1ccccc1
• Canonical SMILES: O=C(C1CCN(CC1)C/C=C/c1ccccc1)Nc1cccc(c1)c1ccco1
• InChI: InChI=1S/C25H26N2O2/c28-25(26-23-11-4-10-22(19-23)24-12-6-18-29-24)21-13-16-27(17-14-21)15-5-9-20-7-2-1-3-8-20/h1-12,18-19,21H,13-17H2,(H,26,28)/b9-5+
• InChIKey: VOIIKOBPSQLYOG-WEVVVXLNSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.77813
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9283608
• LogD (pH = 7.4): 3.690791
• Log P: 4.739443
• Molar Refractivity: 119.1056 cm^3
• Polarizability: 46.210884 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: 4.7
• LOG S: -6.01
• Polar Surface Area: 45.48 Å^2
• Rotatable Bonds: 6