(2E)-3-(furan-2-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]prop-2-enamide

• ChemBase ID: 653804
• Molecular Formular: C20H24N2O2
• Molecular Mass: 324.41676
• Monoisotopic Mass: 324.18377802
• SMILES: C(=O)(/C=C/c1occc1)NC1CN(CCc2ccccc2)CCC1
• Canonical SMILES: O=C(NC1CCCN(C1)CCc1ccccc1)/C=C/c1ccco1
• InChI: InChI=1S/C20H24N2O2/c23-20(11-10-19-9-5-15-24-19)21-18-8-4-13-22(16-18)14-12-17-6-2-1-3-7-17/h1-3,5-7,9-11,15,18H,4,8,12-14,16H2,(H,21,23)/b11-10+
• InChIKey: HAJYYMDXHURPMK-ZHACJKMWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2E)-3-(furan-2-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]prop-2-enamide
• IUPAC Traditional name: (2E)-3-(furan-2-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]prop-2-enamide
• Synonyms: (2E)-3-(2-furyl)-N-[1-(2-phenylethyl)-3-piperidinyl]acrylamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.482868
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.21295975
• LogD (pH = 7.4): 1.9593343
• Log P: 3.1104097
• Molar Refractivity: 96.7676 cm^3
• Polarizability: 36.971497 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: 3.88
• LOG S: -4.15
• Polar Surface Area: 45.48 Å^2
• Rotatable Bonds: 6