N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide

• ChemBase编号: 778830
• 分子式: C16H27N5O2
• 平均质量: 321.41788
• 单一同位素质量: 321.21647513
• SMILES: c1(nc2n(c1)CCNC2)C(=O)N(C1CCN(CC1)C)CCOC
• Canonical SMILES: COCCN(C(=O)c1cn2c(n1)CNCC2)C1CCN(CC1)C
• InChI: InChI=1S/C16H27N5O2/c1-19-6-3-13(4-7-19)21(9-10-23-2)16(22)14-12-20-8-5-17-11-15(20)18-14/h12-13,17H,3-11H2,1-2H3
• InChIKey: SJVVQFFDYDQXCX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide
• IUPAC传统名: N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide
• 别名: N-(2-methoxyethyl)-N-(1-methyl-4-piperidinyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide

理论计算性质

JChem

• 质子受体: 5
• 质子供体: 1
• LogD (pH = 5.5): -4.6793165
• LogD (pH = 7.4): -1.8670864
• Log P: -0.7978844
• 摩尔折射率: 89.5099 cm^3
• 极化性: 34.305458 Å^3
• 极化表面积: 62.63 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: 5
• 质子供体: 1
• Log P: -1.23
• LOG S: -1.8
• 极化表面积: 62.63 Å^2
• 可自由旋转的化学键: 5