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

• ChemBase编号: 445370
• 分子式: C15H24N2O2
• 平均质量: 264.36326
• 单一同位素质量: 264.18377802
• SMILES: N1(CC(C(=O)NCC(=C)C)CCC1=O)C1CCCC1
• Canonical SMILES: CC(=C)CNC(=O)C1CCC(=O)N(C1)C1CCCC1
• InChI: InChI=1S/C15H24N2O2/c1-11(2)9-16-15(19)12-7-8-14(18)17(10-12)13-5-3-4-6-13/h12-13H,1,3-10H2,2H3,(H,16,19)
• InChIKey: HRONANIKLFXDOA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-cyclopentyl-N-(2-methylprop-2-en-1-yl)-6-oxopiperidine-3-carboxamide
• IUPAC传统名: 1-cyclopentyl-N-(2-methylprop-2-en-1-yl)-6-oxopiperidine-3-carboxamide
• 别名: 1-cyclopentyl-N-(2-methyl-2-propen-1-yl)-6-oxo-3-piperidinecarboxamide

理论计算性质

JChem

• Acid pKa: 15.812783
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 1.2133334
• LogD (pH = 7.4): 1.2133338
• Log P: 1.2133338
• 摩尔折射率: 74.4183 cm^3
• 极化性: 29.07726 Å^3
• 极化表面积: 49.41 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: 1
• Log P: 1.6
• LOG S: -2.75
• 极化表面积: 49.41 Å^2
• 可自由旋转的化学键: 4