tert-butyl 3-[(dimethylamino)methylene]-4-oxotetrahydro-1(2H)-pyridinecarboxylate 分子结构式
HCID53395404

tert-butyl 3-[(dimethylamino)methylene]-4-oxotetrahydro-1(2H)-pyridinecarboxylate

tert-butyl 3-(dimethylaminomethylidene)-4-oxopiperidine-1-carboxylate

C13H22N2O3254.33 g/mol

IDENTITY

结构与身份

标准SMILES
CN(C)C=C1CN(C(=O)OC(C)(C)C)CCC1=O
InChIKey
YUSMZDVTEOAHDL-UHFFFAOYSA-N
分子式
C13H22N2O3
平均分子量
254.33 g/mol
单同位素质量
254.16304257

COMPUTED

结构计算性质

等待补全
XLogP
0.8
极性表面积
49.9 Ų
氢键供体
0
氢键受体
4
可旋转键
3
重原子
18
形式电荷
0
复杂度
367
物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 35 条
157327-41-81-BOC-3-[(DIMETHYLAMINO)METHYLENE]-4-OXOPIPERIDINEMFCD08443986tert-butyl 3-[(dimethylamino)methylene]-4-oxotetrahydro-1(2H)-pyridinecarboxylate3-Dimethylaminomethylene-4-oxo-piperidine-1-carboxylic acid tert-butyl estertert-butyl 3-(dimethylaminomethylidene)-4-oxopiperidine-1-carboxylate1310796-19-01-Boc-3-((Dimethylamino)methylene)-4-oxopiperidinetert-butyl-3-((dimethylamino)methylene)-4-oxopiperidine-1-carboxylatetert-butyl-3-[(dimethylamino)methylene]-4-oxopiperidine-1-carboxylateSCHEMBL785942tert-Butyl 3-((dimethylamino)methylene)-4-oxopiperidine-1-carboxylatetert-Butyl 3-[(dimethylamino)methylene]-4-oxopiperidine-1-carboxylate1-Piperidinecarboxylic acid, 3-[(dimethylamino)methylene]-4-oxo-, 1,1-dimethylethyl esterTERT-BUTYL (3Z)-3-[(DIMETHYLAMINO)METHYLIDENE]-4-OXOPIPERIDINE-1-CARBOXYLATEYUSMZDVTEOAHDL-UHFFFAOYSA-NAKOS025244025SB33938SY008669DB-064167

REACTIONS

参与反应

64
HRID 132858 反应方程式

uspto-grants-2008_06 · 10.6084/m9.figshare.5104873.v1 · US07388019B2

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HRID 132859 反应方程式

uspto-grants-2008_06 · 10.6084/m9.figshare.5104873.v1 · US07388019B2

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HRID 132861 反应方程式

uspto-grants-2008_06 · 10.6084/m9.figshare.5104873.v1 · US07388019B2

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HRID 132863 反应方程式

uspto-grants-2008_06 · 10.6084/m9.figshare.5104873.v1 · US07388019B2

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HRID 134968 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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HRID 225475 反应方程式

uspto-grants-2009_07 · 10.6084/m9.figshare.5104873.v1 · US07557112B2

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HRID 241556 反应方程式

uspto-grants-2014_02 · 10.6084/m9.figshare.5104873.v1 · US08653059B2

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HRID 241557 反应方程式

uspto-grants-2014_02 · 10.6084/m9.figshare.5104873.v1 · US08653059B2

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