N-cyclohexyl-1-(cyclohexylmethyl)-N-methyl-6-oxopiperidine-3-carboxamide

• ChemBase编号: 425450
• 分子式: C20H34N2O2
• 平均质量: 334.49616
• 单一同位素质量: 334.26202834
• SMILES: N1(C(=O)CCC(C(=O)N(C2CCCCC2)C)C1)CC1CCCCC1
• Canonical SMILES: CN(C(=O)C1CCC(=O)N(C1)CC1CCCCC1)C1CCCCC1
• InChI: InChI=1S/C20H34N2O2/c1-21(18-10-6-3-7-11-18)20(24)17-12-13-19(23)22(15-17)14-16-8-4-2-5-9-16/h16-18H,2-15H2,1H3
• InChIKey: FUHDNWVXLNTJIC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-cyclohexyl-1-(cyclohexylmethyl)-N-methyl-6-oxopiperidine-3-carboxamide
• IUPAC传统名: N-cyclohexyl-1-(cyclohexylmethyl)-N-methyl-6-oxopiperidine-3-carboxamide
• 别名: N-cyclohexyl-1-(cyclohexylmethyl)-N-methyl-6-oxo-3-piperidinecarboxamide

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.0212493
• LogD (pH = 7.4): 3.0212507
• Log P: 3.0212507
• 摩尔折射率: 96.2163 cm^3
• 极化性: 37.794704 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: 3.85
• LOG S: -2.99
• 极化表面积: 40.62 Å^2
• 可自由旋转的化学键: 4