N,N-dimethyl-2-(pyridin-3-yl)piperidine-1-carboxamide

• ChemBase编号: 216074
• 分子式: C13H19N3O
• 平均质量: 233.30946
• 单一同位素质量: 233.15281224
• SMILES: N1(C(=O)N(C)C)C(c2cnccc2)CCCC1
• Canonical SMILES: O=C(N1CCCCC1c1cccnc1)N(C)C
• InChI: InChI=1S/C13H19N3O/c1-15(2)13(17)16-9-4-3-7-12(16)11-6-5-8-14-10-11/h5-6,8,10,12H,3-4,7,9H2,1-2H3
• InChIKey: NCJUHIQDGITYSQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,N-dimethyl-2-(pyridin-3-yl)piperidine-1-carboxamide
• IUPAC传统名: N,N-dimethyl-2-(pyridin-3-yl)piperidine-1-carboxamide

登记号

• PubChem SID: 164271984
• PubChem CID: 3696645

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 0.87924904
• LogD (pH = 7.4): 0.94685185
• Log P: 0.9478043
• 摩尔折射率: 66.9973 cm^3
• 极化性: 25.771887 Å^3
• 极化表面积: 36.44 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds