N-(1-ethylpiperidin-4-yl)-N-methyl-2-(pyrazin-2-yl)acetamide

• ChemBase编号: 374716
• 分子式: C14H22N4O
• 平均质量: 262.35068
• 单一同位素质量: 262.17936134
• SMILES: C(=O)(Cc1nccnc1)N(C1CCN(CC1)CC)C
• Canonical SMILES: CCN1CCC(CC1)N(C(=O)Cc1nccnc1)C
• InChI: InChI=1S/C14H22N4O/c1-3-18-8-4-13(5-9-18)17(2)14(19)10-12-11-15-6-7-16-12/h6-7,11,13H,3-5,8-10H2,1-2H3
• InChIKey: DTCRHUVQSAHKKK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(1-ethylpiperidin-4-yl)-N-methyl-2-(pyrazin-2-yl)acetamide
• IUPAC传统名: N-(1-ethylpiperidin-4-yl)-N-methyl-2-(pyrazin-2-yl)acetamide
• 别名: N-(1-ethylpiperidin-4-yl)-N-methyl-2-pyrazin-2-ylacetamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -3.5128086
• LogD (pH = 7.4): -1.8437029
• Log P: -0.4144768
• 摩尔折射率: 74.4951 cm^3
• 极化性: 28.954506 Å^3
• 极化表面积: 49.33 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: -0.41
• LOG S: -2.07
• 极化表面积: 49.33 Å^2
• 可自由旋转的化学键: 4