2-(1-ethylpiperidin-4-yl)-N-[furan-2-yl(phenyl)methyl]acetamide

• ChemBase ID: 611136
• Molecular Formular: C20H26N2O2
• Molecular Mass: 326.43264
• Monoisotopic Mass: 326.19942808
• SMILES: c1(C(NC(=O)CC2CCN(CC2)CC)c2ccccc2)occc1
• Canonical SMILES: CCN1CCC(CC1)CC(=O)NC(c1ccco1)c1ccccc1
• InChI: InChI=1S/C20H26N2O2/c1-2-22-12-10-16(11-13-22)15-19(23)21-20(18-9-6-14-24-18)17-7-4-3-5-8-17/h3-9,14,16,20H,2,10-13,15H2,1H3,(H,21,23)
• InChIKey: ARMFLQJBYBAQMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-ethylpiperidin-4-yl)-N-[furan-2-yl(phenyl)methyl]acetamide
• IUPAC Traditional name: 2-(1-ethylpiperidin-4-yl)-N-[furan-2-yl(phenyl)methyl]acetamide
• Synonyms: 2-(1-ethyl-4-piperidinyl)-N-[2-furyl(phenyl)methyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.648091
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.4300205
• LogD (pH = 7.4): 1.1402352
• Log P: 2.794383
• Molar Refractivity: 95.6989 cm^3
• Polarizability: 37.204052 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: 3.05
• LOG S: -4.18
• Polar Surface Area: 45.48 Å^2
• Rotatable Bonds: 6