7-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-N,N-dimethyl-2,7-diazaspiro[4.5]decane-2-carboxamide

• ChemBase编号: 368426
• 分子式: C20H38N4O2
• 平均质量: 366.54132
• 单一同位素质量: 366.29947648
• SMILES: N1(C(=O)N(C)C)CC2(CN(CC3CCN(CC3)CCOC)CCC2)CC1
• Canonical SMILES: COCCN1CCC(CC1)CN1CCCC2(C1)CCN(C2)C(=O)N(C)C
• InChI: InChI=1S/C20H38N4O2/c1-21(2)19(25)24-12-8-20(17-24)7-4-9-23(16-20)15-18-5-10-22(11-6-18)13-14-26-3/h18H,4-17H2,1-3H3
• InChIKey: PASXTEGEAKGYGX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 7-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-N,N-dimethyl-2,7-diazaspiro[4.5]decane-2-carboxamide
• IUPAC传统名: 7-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-N,N-dimethyl-2,7-diazaspiro[4.5]decane-2-carboxamide
• 别名: 7-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-N,N-dimethyl-2,7-diazaspiro[4.5]decane-2-carboxamide

理论计算性质

JChem

• Log P: 0.5190841
• 摩尔折射率: 106.8236 cm^3
• 极化性: 41.46853 Å^3
• 极化表面积: 39.26 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true
• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -5.959899
• LogD (pH = 7.4): -3.3369994

Provided by Chembridge

• Log P: 1.55
• LOG S: -3.2
• 极化表面积: 39.26 Å^2
• 可自由旋转的化学键: 5
• 质子受体: 4
• 质子供体: 0