1'-{2-methyl-2,8-diazaspiro[4.5]decane-3-carbonyl}-2,3-dihydrospiro[indene-1,4'-piperidine]

• ChemBase编号: 349716
• 分子式: C23H33N3O
• 平均质量: 367.52762
• 单一同位素质量: 367.26236269
• SMILES: C(=O)(C1N(CC2(C1)CCNCC2)C)N1CCC2(c3c(CC2)cccc3)CC1
• Canonical SMILES: CN1CC2(CC1C(=O)N1CCC3(CC1)CCc1c3cccc1)CCNCC2
• InChI: InChI=1S/C23H33N3O/c1-25-17-22(8-12-24-13-9-22)16-20(25)21(27)26-14-10-23(11-15-26)7-6-18-4-2-3-5-19(18)23/h2-5,20,24H,6-17H2,1H3
• InChIKey: WIXDRICRWVSIKX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1'-{2-methyl-2,8-diazaspiro[4.5]decane-3-carbonyl}-2,3-dihydrospiro[indene-1,4'-piperidine]
• IUPAC传统名: 1'-{2-methyl-2,8-diazaspiro[4.5]decane-3-carbonyl}-2,3-dihydrospiro[indene-1,4'-piperidine]
• 别名: 1'-[(2-methyl-2,8-diazaspiro[4.5]dec-3-yl)carbonyl]-2,3-dihydrospiro[indene-1,4'-piperidine]

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -3.985277
• LogD (pH = 7.4): -1.7650187
• Log P: 2.1502774
• 摩尔折射率: 109.5742 cm^3
• 极化性: 42.916203 Å^3
• 极化表面积: 35.58 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: 3
• 质子供体: 1
• Log P: 3.03
• LOG S: -4.47
• 极化表面积: 35.58 Å^2
• 可自由旋转的化学键: 1