ethyl 1-(2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetamido)piperidine-3-carboxylate

• ChemBase编号: 786188
• 分子式: C18H24N4O3
• 平均质量: 344.40816
• 单一同位素质量: 344.18484065
• SMILES: c12n(c(cn1)CC(=O)NN1CC(C(=O)OCC)CCC1)cccc2C
• Canonical SMILES: CCOC(=O)C1CCCN(C1)NC(=O)Cc1cnc2n1cccc2C
• InChI: InChI=1S/C18H24N4O3/c1-3-25-18(24)14-7-5-8-21(12-14)20-16(23)10-15-11-19-17-13(2)6-4-9-22(15)17/h4,6,9,11,14H,3,5,7-8,10,12H2,1-2H3,(H,20,23)
• InChIKey: ZQNGFPDLUYOOLL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl 1-(2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetamido)piperidine-3-carboxylate
• IUPAC传统名: ethyl 1-(2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetamido)piperidine-3-carboxylate
• 别名: ethyl 1-{[(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]amino}piperidine-3-carboxylate

理论计算性质

JChem

• Acid pKa: 12.148751
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -0.16938382
• LogD (pH = 7.4): 0.5735295
• Log P: 0.62479216
• 摩尔折射率: 94.8239 cm^3
• 极化性: 36.15658 Å^3
• 极化表面积: 75.94 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 1
• Log P: 2.35
• LOG S: -3.72
• 极化表面积: 75.94 Å^2
• 可自由旋转的化学键: 6