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

• ChemBase编号: 757696
• 分子式: C16H26N4O2
• 平均质量: 306.40324
• 单一同位素质量: 306.20557609
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)C1CCN(CC1)CCOC
• Canonical SMILES: COCCN1CCC(CC1)C(=O)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C16H26N4O2/c1-22-11-10-19-8-5-13(6-9-19)16(21)18-15-12-17-14-4-2-3-7-20(14)15/h12-13H,2-11H2,1H3,(H,18,21)
• InChIKey: WDWREYQNKKVCCL-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}-1-(2-methoxyethyl)piperidine-4-carboxamide
• IUPAC传统名: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-1-(2-methoxyethyl)piperidine-4-carboxamide
• 别名: 1-(2-methoxyethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidine-4-carboxamide

理论计算性质

JChem

• Acid pKa: 13.738576
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -3.0891569
• LogD (pH = 7.4): -0.8089408
• Log P: 0.63973993
• 摩尔折射率: 86.7326 cm^3
• 极化性: 32.89795 Å^3
• 极化表面积: 59.39 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: 4
• 质子供体: 1
• Log P: 0.61
• LOG S: -1.96
• 极化表面积: 59.39 Å^2
• 可自由旋转的化学键: 5