N,N-dimethyl-2-{4-[3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl}acetamide

• ChemBase编号: 379929
• 分子式: C19H34N4O3
• 平均质量: 366.49826
• 单一同位素质量: 366.26309097
• SMILES: C(=O)(C1CN(C2CCN(CC(=O)N(C)C)CC2)CCC1)N1CCOCC1
• Canonical SMILES: O=C(N(C)C)CN1CCC(CC1)N1CCCC(C1)C(=O)N1CCOCC1
• InChI: InChI=1S/C19H34N4O3/c1-20(2)18(24)15-21-8-5-17(6-9-21)23-7-3-4-16(14-23)19(25)22-10-12-26-13-11-22/h16-17H,3-15H2,1-2H3
• InChIKey: NFGKZNXHDUZDLB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,N-dimethyl-2-{4-[3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl}acetamide
• IUPAC传统名: N,N-dimethyl-2-{4-[3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl}acetamide
• 别名: N,N-dimethyl-2-[3-(morpholin-4-ylcarbonyl)-1,4'-bipiperidin-1'-yl]acetamide

理论计算性质

JChem

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): -5.1112
• LogD (pH = 7.4): -3.6738787
• Log P: -1.0137044
• 摩尔折射率: 102.0574 cm^3
• 极化性: 39.715435 Å^3
• 极化表面积: 56.33 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 0
• Log P: 0.09
• LOG S: -3.26
• 极化表面积: 56.33 Å^2
• 可自由旋转的化学键: 4