7-cyclohexyl-2-[2-(morpholin-4-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one

• ChemBase编号: 788064
• 分子式: C20H33N3O3
• 平均质量: 363.49432
• 单一同位素质量: 363.25219193
• SMILES: C12(C(=O)N(C3CCCCC3)CCC2)CN(C(=O)CN2CCOCC2)CC1
• Canonical SMILES: O=C(N1CCC2(C1)CCCN(C2=O)C1CCCCC1)CN1CCOCC1
• InChI: InChI=1S/C20H33N3O3/c24-18(15-21-11-13-26-14-12-21)22-10-8-20(16-22)7-4-9-23(19(20)25)17-5-2-1-3-6-17/h17H,1-16H2
• InChIKey: WYWOCICHQDGFCK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 7-cyclohexyl-2-[2-(morpholin-4-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
• IUPAC传统名: 7-cyclohexyl-2-[2-(morpholin-4-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
• 别名: 7-cyclohexyl-2-(morpholin-4-ylacetyl)-2,7-diazaspiro[4.5]decan-6-one

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 0.44046494
• LogD (pH = 7.4): 0.83302504
• Log P: 0.8412414
• 摩尔折射率: 100.3899 cm^3
• 极化性: 39.301563 Å^3
• 极化表面积: 53.09 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 1.79
• LOG S: -3.38
• 极化表面积: 53.09 Å^2
• 可自由旋转的化学键: 3