(2E)-3-(furan-2-yl)-N-({1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl}methyl)-N-methylprop-2-enamide

• ChemBase ID: 584718
• Molecular Formular: C23H30N2O3
• Molecular Mass: 382.4959
• Monoisotopic Mass: 382.22564283
• SMILES: C(=O)(/C=C/c1occc1)N(CC1CCN(CCc2ccc(cc2)OC)CC1)C
• Canonical SMILES: COc1ccc(cc1)CCN1CCC(CC1)CN(C(=O)/C=C/c1ccco1)C
• InChI: InChI=1S/C23H30N2O3/c1-24(23(26)10-9-22-4-3-17-28-22)18-20-12-15-25(16-13-20)14-11-19-5-7-21(27-2)8-6-19/h3-10,17,20H,11-16,18H2,1-2H3/b10-9+
• InChIKey: VLAZQSIQZJCRQU-MDZDMXLPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2E)-3-(furan-2-yl)-N-({1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl}methyl)-N-methylprop-2-enamide
• IUPAC Traditional name: (2E)-3-(furan-2-yl)-N-({1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl}methyl)-N-methylprop-2-enamide
• Synonyms: (2E)-3-(2-furyl)-N-({1-[2-(4-methoxyphenyl)ethyl]-4-piperidinyl}methyl)-N-methylacrylamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.054277863
• LogD (pH = 7.4): 1.5058186
• Log P: 3.1796124
• Molar Refractivity: 113.1663 cm^3
• Polarizability: 43.16657 Å^3
• Polar Surface Area: 45.92 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.57
• LOG S: -3.61
• Polar Surface Area: 45.92 Å^2
• Rotatable Bonds: 7