N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-4-(2-oxopiperidin-1-yl)butanamide

• ChemBase编号: 773340
• 分子式: C16H24N4O2
• 平均质量: 304.38736
• 单一同位素质量: 304.18992603
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)CCCN1C(=O)CCCC1
• Canonical SMILES: O=C(Nc1cnc2n1CCCC2)CCCN1CCCCC1=O
• InChI: InChI=1S/C16H24N4O2/c21-15(7-5-10-19-9-3-2-8-16(19)22)18-14-12-17-13-6-1-4-11-20(13)14/h12H,1-11H2,(H,18,21)
• InChIKey: LIKZCCROQLNWLQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-4-(2-oxopiperidin-1-yl)butanamide
• IUPAC传统名: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-4-(2-oxopiperidin-1-yl)butanamide
• 别名: 4-(2-oxopiperidin-1-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)butanamide

理论计算性质

JChem

• Acid pKa: 13.832306
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -0.16581598
• LogD (pH = 7.4): 0.48505348
• Log P: 0.515728
• 摩尔折射率: 84.6137 cm^3
• 极化性: 31.902824 Å^3
• 极化表面积: 67.23 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: 3
• 质子供体: 1
• Log P: 0.75
• LOG S: -2.06
• 极化表面积: 67.23 Å^2
• 可自由旋转的化学键: 5