N-benzyl-N-methyl-3-{1-[2-(morpholin-4-yl)propanoyl]piperidin-4-yl}propanamide

• ChemBase编号: 566914
• 分子式: C23H35N3O3
• 平均质量: 401.5423
• 单一同位素质量: 401.267842
• SMILES: C(=O)(N1CCC(CCC(=O)N(Cc2ccccc2)C)CC1)C(N1CCOCC1)C
• Canonical SMILES: CC(C(=O)N1CCC(CC1)CCC(=O)N(Cc1ccccc1)C)N1CCOCC1
• InChI: InChI=1S/C23H35N3O3/c1-19(25-14-16-29-17-15-25)23(28)26-12-10-20(11-13-26)8-9-22(27)24(2)18-21-6-4-3-5-7-21/h3-7,19-20H,8-18H2,1-2H3
• InChIKey: ZGQHUAUAEVORCA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-benzyl-N-methyl-3-{1-[2-(morpholin-4-yl)propanoyl]piperidin-4-yl}propanamide
• IUPAC传统名: N-benzyl-N-methyl-3-{1-[2-(morpholin-4-yl)propanoyl]piperidin-4-yl}propanamide
• 别名: N-benzyl-N-methyl-3-{1-[2-(4-morpholinyl)propanoyl]-4-piperidinyl}propanamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.0800827
• LogD (pH = 7.4): 1.7114222
• Log P: 1.7299895
• 摩尔折射率: 115.0429 cm^3
• 极化性: 44.810345 Å^3
• 极化表面积: 53.09 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 1.88
• LOG S: -1.35
• 极化表面积: 53.09 Å^2
• 可自由旋转的化学键: 7