ethyl N-[2-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]triazol-4-yl]carbamate

C12H17N5O4 — CID 112531278

IUPACethyl N-[2-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]triazol-4-yl]carbamate
SMILESCCOC(=O)Nc1cnn(CC(=O)N2CCC(=O)CC2)n1
InChIInChI=1S/C12H17N5O4/c1-2-21-12(20)14-10-7-13-17(15-10)8-11(19)16-5-3-9(18)4-6-16/h7H,2-6,8H2,1H3,(H,14,15,20)
InChIKeyBFHZBYJPFSVJAW-UHFFFAOYSA-N
MW295.30 g/mol
LogP0.04
Rot. Bonds4

About ethyl N-[2-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]triazol-4-yl]carbamate

ethyl N-[2-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]triazol-4-yl]carbamate (PubChem CID 112531278) has the molecular formula C12H17N5O4 and a molecular weight of 295.30 g/mol. Its IUPAC name is ethyl N-[2-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]triazol-4-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]triazol-4-yl]carbamate
PubChem CID112531278
Molecular FormulaC12H17N5O4
Molecular Weight295.30 g/mol
Exact Mass295.13
IUPAC Nameethyl N-[2-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]triazol-4-yl]carbamate
SMILESCCOC(=O)Nc1cnn(CC(=O)N2CCC(=O)CC2)n1
InChIInChI=1S/C12H17N5O4/c1-2-21-12(20)14-10-7-13-17(15-10)8-11(19)16-5-3-9(18)4-6-16/h7H,2-6,8H2,1H3,(H,14,15,20)
InChIKeyBFHZBYJPFSVJAW-UHFFFAOYSA-N
XLogP0.04
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl N-[2-(2-oxo-2-pyrrolidin-1-ylethyl)triazol-4-yl]carbamate
CID 112530460
methyl 1-[2-[4-(ethoxycarbonylamino)triazol-2-yl]acetyl]piperidine-4-carboxylate
CID 112531700
ethyl N-[2-(2-amino-2-oxoethyl)triazol-4-yl]carbamate
CID 112520587
ethyl N-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
CID 112532265
ethyl N-[2-[2-(4-aminobenzimidazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
CID 112523150
ethyl N-[2-[2-(4-aminoindol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
CID 112526365
ethyl 2-[4-(3-pyrrolidin-1-ylpropanoylamino)triazol-2-yl]acetate
CID 112535446
ethyl N-[2-[2-(2,3-dimethylanilino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112522584
ethyl N-[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]triazol-4-yl]carbamate
CID 112520362
ethyl N-[2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112521547
ethyl N-[2-[2-(1H-indol-4-ylamino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112526366
ethyl N-[2-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]triazol-4-yl]carbamate
CID 112522203

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]triazol-4-yl]carbamate?
The IUPAC name of ethyl N-[2-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]triazol-4-yl]carbamate (CID 112531278) is ethyl N-[2-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]triazol-4-yl]carbamate.
What is the SMILES notation for ethyl N-[2-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]triazol-4-yl]carbamate?
The canonical SMILES for ethyl N-[2-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]triazol-4-yl]carbamate is CCOC(=O)Nc1cnn(CC(=O)N2CCC(=O)CC2)n1.
What is the InChIKey of ethyl N-[2-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]triazol-4-yl]carbamate?
The InChIKey is BFHZBYJPFSVJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O4/c1-2-21-12(20)14-10-7-13-17(15-10)8-11(19)16-5-3-9(18)4-6-16/h7H,2-6,8H2,1H3,(H,14,15,20).
What are the key properties of ethyl N-[2-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]triazol-4-yl]carbamate?
ethyl N-[2-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]triazol-4-yl]carbamate has a molecular weight of 295.30 g/mol, XLogP of 0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]triazol-4-yl]carbamate is sourced from PubChem (CID 112531278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).