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

• ChemBase编号: 687927
• 分子式: C17H28N4O
• 平均质量: 304.43042
• 单一同位素质量: 304.22631154
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)CC1CCN(CC1)CCC
• Canonical SMILES: CCCN1CCC(CC1)CC(=O)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C17H28N4O/c1-2-8-20-10-6-14(7-11-20)12-17(22)19-16-13-18-15-5-3-4-9-21(15)16/h13-14H,2-12H2,1H3,(H,19,22)
• InChIKey: WKAPGNUXXJCUSW-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}-2-(1-propylpiperidin-4-yl)acetamide
• IUPAC传统名: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2-(1-propylpiperidin-4-yl)acetamide
• 别名: 2-(1-propylpiperidin-4-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)acetamide

理论计算性质

JChem

• Acid pKa: 13.826063
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -2.2673347
• LogD (pH = 7.4): -0.21845081
• Log P: 1.7546473
• 摩尔折射率: 89.5368 cm^3
• 极化性: 34.032993 Å^3
• 极化表面积: 50.16 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: 2.2
• LOG S: -3.3
• 极化表面积: 50.16 Å^2
• 可自由旋转的化学键: 5