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

• ChemBase编号: 706822
• 分子式: C23H27N3O2
• 平均质量: 377.47938
• 单一同位素质量: 377.21032712
• SMILES: C(=O)(N1CCC2(c3c(NC2)cccc3)CC1)c1ccc(N2CCOCC2)cc1
• Canonical SMILES: O=C(c1ccc(cc1)N1CCOCC1)N1CCC2(CC1)CNc1c2cccc1
• InChI: InChI=1S/C23H27N3O2/c27-22(18-5-7-19(8-6-18)25-13-15-28-16-14-25)26-11-9-23(10-12-26)17-24-21-4-2-1-3-20(21)23/h1-8,24H,9-17H2
• InChIKey: SCAUMFZFYQSQNP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1'-[4-(morpholin-4-yl)benzoyl]-1,2-dihydrospiro[indole-3,4'-piperidine]
• IUPAC传统名: 1'-[4-(morpholin-4-yl)benzoyl]-1,2-dihydrospiro[indole-3,4'-piperidine]
• 别名: 1'-(4-morpholin-4-ylbenzoyl)-1,2-dihydrospiro[indole-3,4'-piperidine]

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 2.4263306
• LogD (pH = 7.4): 2.4423933
• Log P: 2.442602
• 摩尔折射率: 113.4008 cm^3
• 极化性: 41.951122 Å^3
• 极化表面积: 44.81 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: 2
• 质子供体: 1
• Log P: 1.61
• LOG S: -3.33
• 极化表面积: 44.81 Å^2
• 可自由旋转的化学键: 2