4-(3,3-diphenylpiperidin-1-yl)-N,N-dimethyl-4-oxobutanamide

• ChemBase编号: 758159
• 分子式: C23H28N2O2
• 平均质量: 364.48062
• 单一同位素质量: 364.21507815
• SMILES: N1(CC(c2ccccc2)(c2ccccc2)CCC1)C(=O)CCC(=O)N(C)C
• Canonical SMILES: O=C(N(C)C)CCC(=O)N1CCCC(C1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C23H28N2O2/c1-24(2)21(26)14-15-22(27)25-17-9-16-23(18-25,19-10-5-3-6-11-19)20-12-7-4-8-13-20/h3-8,10-13H,9,14-18H2,1-2H3
• InChIKey: XYISJVIPLLWWPZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-(3,3-diphenylpiperidin-1-yl)-N,N-dimethyl-4-oxobutanamide
• IUPAC传统名: 4-(3,3-diphenylpiperidin-1-yl)-N,N-dimethyl-4-oxobutanamide
• 别名: 4-(3,3-diphenylpiperidin-1-yl)-N,N-dimethyl-4-oxobutanamide

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 2.7432837
• LogD (pH = 7.4): 2.7432837
• Log P: 2.7432837
• 摩尔折射率: 118.4643 cm^3
• 极化性: 41.87383 Å^3
• 极化表面积: 40.62 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 2
• 质子供体: 0
• Log P: 3.11
• LOG S: -4.28
• 极化表面积: 40.62 Å^2
• 可自由旋转的化学键: 5