1-cyclopentyl-N-ethyl-N-(2-methylprop-2-en-1-yl)-6-oxopiperidine-3-carboxamide

• ChemBase编号: 525984
• 分子式: C17H28N2O2
• 平均质量: 292.41642
• 单一同位素质量: 292.21507815
• SMILES: N1(CC(C(=O)N(CC(=C)C)CC)CCC1=O)C1CCCC1
• Canonical SMILES: CCN(C(=O)C1CCC(=O)N(C1)C1CCCC1)CC(=C)C
• InChI: InChI=1S/C17H28N2O2/c1-4-18(11-13(2)3)17(21)14-9-10-16(20)19(12-14)15-7-5-6-8-15/h14-15H,2,4-12H2,1,3H3
• InChIKey: OHYOBJXZOUGFQR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-cyclopentyl-N-ethyl-N-(2-methylprop-2-en-1-yl)-6-oxopiperidine-3-carboxamide
• IUPAC传统名: 1-cyclopentyl-N-ethyl-N-(2-methylprop-2-en-1-yl)-6-oxopiperidine-3-carboxamide
• 别名: 1-cyclopentyl-N-ethyl-N-(2-methyl-2-propen-1-yl)-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): 1.7938164
• LogD (pH = 7.4): 1.7938179
• Log P: 1.7938179
• 摩尔折射率: 84.0636 cm^3
• 极化性: 32.75738 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: 2.51
• LOG S: -2.46
• 极化表面积: 40.62 Å^2
• 可自由旋转的化学键: 4