1-{2-methyl-2,7-diazaspiro[4.5]decan-7-yl}-2-(morpholin-4-yl)ethane-1,2-dione

• ChemBase编号: 538668
• 分子式: C15H25N3O3
• 平均质量: 295.3773
• 单一同位素质量: 295.18959168
• SMILES: C(=O)(C(=O)N1CCOCC1)N1CC2(CN(CC2)C)CCC1
• Canonical SMILES: CN1CCC2(C1)CCCN(C2)C(=O)C(=O)N1CCOCC1
• InChI: InChI=1S/C15H25N3O3/c1-16-6-4-15(11-16)3-2-5-18(12-15)14(20)13(19)17-7-9-21-10-8-17/h2-12H2,1H3
• InChIKey: MWQYVPYXEDWEPX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-{2-methyl-2,7-diazaspiro[4.5]decan-7-yl}-2-(morpholin-4-yl)ethane-1,2-dione
• IUPAC传统名: 1-{2-methyl-2,7-diazaspiro[4.5]decan-7-yl}-2-(morpholin-4-yl)ethane-1,2-dione
• 别名: 2-methyl-7-[morpholin-4-yl(oxo)acetyl]-2,7-diazaspiro[4.5]decane

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -3.8778107
• LogD (pH = 7.4): -2.307297
• Log P: -0.6536507
• 摩尔折射率: 79.5259 cm^3
• 极化性: 30.844141 Å^3
• 极化表面积: 53.09 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: -1.46
• LOG S: -1.42
• 极化表面积: 53.09 Å^2
• 可自由旋转的化学键: 1