1-methyl-1'-[2-(morpholin-2-yl)acetyl]-1,2-dihydrospiro[indole-3,4'-piperidine]-2-one

• ChemBase编号: 732913
• 分子式: C19H25N3O3
• 平均质量: 343.4201
• 单一同位素质量: 343.18959168
• SMILES: C1(=O)C2(c3c(N1C)cccc3)CCN(C(=O)CC1OCCNC1)CC2
• Canonical SMILES: O=C(N1CCC2(CC1)c1ccccc1N(C2=O)C)CC1CNCCO1
• InChI: InChI=1S/C19H25N3O3/c1-21-16-5-3-2-4-15(16)19(18(21)24)6-9-22(10-7-19)17(23)12-14-13-20-8-11-25-14/h2-5,14,20H,6-13H2,1H3
• InChIKey: OCYSQSJQJYBMOB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-methyl-1'-[2-(morpholin-2-yl)acetyl]-1,2-dihydrospiro[indole-3,4'-piperidine]-2-one
• IUPAC传统名: 1-methyl-1'-[2-(morpholin-2-yl)acetyl]spiro[indole-3,4'-piperidine]-2-one
• 别名: 1-methyl-1'-(morpholin-2-ylacetyl)spiro[indole-3,4'-piperidin]-2(1H)-one

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -2.674852
• LogD (pH = 7.4): -0.9860223
• Log P: 0.09184478
• 摩尔折射率: 94.1508 cm^3
• 极化性: 36.711926 Å^3
• 极化表面积: 61.88 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 1
• Log P: 0.37
• LOG S: -2.02
• 极化表面积: 61.88 Å^2
• 可自由旋转的化学键: 2