2-(3-{2-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl}piperidin-1-yl)acetamide

• ChemBase编号: 642785
• 分子式: C18H30N4O3
• 平均质量: 350.4558
• 单一同位素质量: 350.23179084
• SMILES: C(=O)(C1CN(CC(=O)N)CCC1)N1CCC2(CN(C(=O)C2)CC)CC1
• Canonical SMILES: CCN1CC2(CC1=O)CCN(CC2)C(=O)C1CCCN(C1)CC(=O)N
• InChI: InChI=1S/C18H30N4O3/c1-2-21-13-18(10-16(21)24)5-8-22(9-6-18)17(25)14-4-3-7-20(11-14)12-15(19)23/h14H,2-13H2,1H3,(H2,19,23)
• InChIKey: SJCSZADDWHSTBE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(3-{2-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl}piperidin-1-yl)acetamide
• IUPAC传统名: 2-(3-{2-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl}piperidin-1-yl)acetamide
• 别名: 2-{3-[(2-ethyl-3-oxo-2,8-diazaspiro[4.5]dec-8-yl)carbonyl]piperidin-1-yl}acetamide

理论计算性质

JChem

• Acid pKa: 16.174011
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -3.4788578
• LogD (pH = 7.4): -1.8353441
• Log P: -1.4725796
• 摩尔折射率: 95.0481 cm^3
• 极化性: 36.884388 Å^3
• 极化表面积: 86.95 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: 1
• Log P: -0.27
• LOG S: -2.83
• 极化表面积: 86.95 Å^2
• 可自由旋转的化学键: 4