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

• ChemBase编号: 486477
• 分子式: C19H30N4O
• 平均质量: 330.4677
• 单一同位素质量: 330.2419616
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)C1CN(C2CCCCC2)CCC1
• Canonical SMILES: O=C(C1CCCN(C1)C1CCCCC1)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C19H30N4O/c24-19(21-18-13-20-17-10-4-5-12-23(17)18)15-7-6-11-22(14-15)16-8-2-1-3-9-16/h13,15-16H,1-12,14H2,(H,21,24)
• InChIKey: YMZGFJCLGMFHPZ-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

JChem

• Acid pKa: 13.707534
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -1.3824099
• LogD (pH = 7.4): -0.030230645
• Log P: 2.6418934
• 摩尔折射率: 96.5493 cm^3
• 极化性: 36.987442 Å^3
• 极化表面积: 50.16 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 1
• Log P: 2.37
• LOG S: -3.63
• 极化表面积: 50.16 Å^2
• 可自由旋转的化学键: 3