HCID21751544

Tert-butyl 4-(1,3-dioxoisoindolin-2-yloxy)piperidine-1-carboxylate

tert-butyl 4-(1,3-dioxoisoindol-2-yl)oxypiperidine-1-carboxylate

C18H22N2O5346.4 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(C)(C)OC(=O)N1CCC(ON2C(=O)c3ccccc3C2=O)CC1
InChIKey: GPMANOUMBKYOHS-UHFFFAOYSA-N
分子式: C18H22N2O5
平均分子量: 346.4 g/mol
单同位素质量: 346.15287181

COMPUTED

结构计算性质

已同步

XLogP: 2.4
极性表面积: 76.2 Å²
氢键供体: 0
氢键受体: 5
可旋转键: 4
重原子: 25
形式电荷: 0
复杂度: 524

ALIASES

名称与别名

共 9 条

SCHEMBL1677006GPMANOUMBKYOHS-UHFFFAOYSA-Ntert-butyl 4-(1,3-dioxo-1,3-dihydroisoindol-2-yloxy)piperidine-1-carboxylate143539-99-5DB-335671t-Butyl 4-(1,3-dioxoisoindolin-2-yloxy)piperidine-1-carboxylatetert-butyl 4-(1,3-dioxoisoindolin-2-yloxy)piperidine-1-carboxylate4-(1,3-Dioxo-1,3-dihydro-isoindol-2-yloxy)-piperidine-1-carboxylic acid tert-butyl estertert-butyl 4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)oxy]piperidine-1-carboxylate

REACTIONS

参与反应

14 条

全部作为反应物作为生成物作为试剂作为催化剂作为溶剂

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

作为反应物

HRID 134416 方程式

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

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

作为反应物

HRID 158724 方程式

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

Training data from https://doi.org/10.1039/C8SC04228D (8/10)

作为反应物

HRID 285379 方程式

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

Validation data from https://doi.org/10.1039/C8SC04228D

作为反应物

HRID 948873 方程式

Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

uspto-grants-2013_10

作为反应物

HRID 1044822 方程式

uspto-grants-2013_10 · 10.6084/m9.figshare.5104873.v1 · US08563732B2

Training data from https://doi.org/10.1039/C8SC04228D (5/10)

作为反应物

HRID 1213678 方程式

Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

Training data from https://doi.org/10.1039/C8SC04228D (1/10)

作为反应物

HRID 1556407 方程式

Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D

uspto-grants-2009_10

作为反应物

HRID 1821819 方程式

uspto-grants-2009_10 · 10.6084/m9.figshare.5104873.v1 · US07608627B2