N,N-dimethyl-3-(5-methyl-2-oxo-5-phenylpiperidin-1-yl)propanamide

• ChemBase编号: 773294
• 分子式: C17H24N2O2
• 平均质量: 288.38466
• 单一同位素质量: 288.18377802
• SMILES: N1(C(=O)CCC(C1)(c1ccccc1)C)CCC(=O)N(C)C
• Canonical SMILES: CN(C(=O)CCN1CC(C)(CCC1=O)c1ccccc1)C
• InChI: InChI=1S/C17H24N2O2/c1-17(14-7-5-4-6-8-14)11-9-16(21)19(13-17)12-10-15(20)18(2)3/h4-8H,9-13H2,1-3H3
• InChIKey: PHSCVLVAVYJFDK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,N-dimethyl-3-(5-methyl-2-oxo-5-phenylpiperidin-1-yl)propanamide
• IUPAC传统名: N,N-dimethyl-3-(5-methyl-2-oxo-5-phenylpiperidin-1-yl)propanamide
• 别名: N,N-dimethyl-3-(5-methyl-2-oxo-5-phenylpiperidin-1-yl)propanamide

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 1.3208185
• LogD (pH = 7.4): 1.3208187
• Log P: 1.3208187
• 摩尔折射率: 83.1199 cm^3
• 极化性: 32.27021 Å^3
• 极化表面积: 40.62 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 2
• 质子供体: 0
• Log P: 1.65
• LOG S: -2.71
• 极化表面积: 40.62 Å^2
• 可自由旋转的化学键: 4