Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D
查看IDENTITY
结构与身份
- 标准SMILES
- COC(=O)C1CN(Cc2ccccc2)CCC1=O
- InChIKey
- PHTILULPLFUXPS-UHFFFAOYSA-N
- 分子式
- C14H17NO3
- 平均分子量
- 247.29 g/mol
- 单同位素质量
- 247.1208434
COMPUTED
结构计算性质
- XLogP
- 1.3
- 极性表面积
- 46.6 Ų
- 氢键供体
- 0
- 氢键受体
- 4
- 可旋转键
- 4
- 重原子
- 18
- 形式电荷
- 0
- 复杂度
- 310
ALIASES
名称与别名
57611-47-9A3J5GO5I1TMethyl 1-Benzyl-4-oxo-3-piperidinecarboxylate3-Piperidinecarboxylic acid, 4-oxo-1-(phenylmethyl)-, methyl ester3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-4-hydroxy-1-(phenylmethyl)-, methyl esterRefChem:1089246methyl 1-benzyl-4-oxopiperidine-3-carboxylate1-Benzyl-3-methoxycarbonyl-4-piperidone1-BENZYL-4-OXO-PIPERIDINE-3-CARBOXYLIC ACID METHYL ESTER1-Benzyl-3-(methoxycarbonyl)-4-piperidoneMFCD00044754Maybridge3_0053764-Oxo-1-(phenylmethyl)-3-piperidinecarboxylic Acid Methyl Ester; 1-Benzyl-4-oxo-nipecotic Acid Methyl Ester; 1-Benzyl-4-oxopiperidine-3-carboxylic Acid Methyl Ester; Methyl 1-Benzyl-4-oxo-3-piperidinecarboxylate;Methyl1-benzyl-4-oxopiperidine-3-carboxylateUNII-A3J5GO5I1TOprea1_029431SCHEMBL1339973DTXSID10276037PHTILULPLFUXPS-UHFFFAOYSA-NHMS1446E08
REACTIONS
参与反应
uspto-grants-2004_06 · 10.6084/m9.figshare.5104873.v1 · USRE038524E1
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查看Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D
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查看uspto-grants-2001_06 · 10.6084/m9.figshare.5104873.v1 · US06251902B1
查看Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D
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