ethyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate

C12H19N5O3 — CID 63283121

IUPACethyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C12H19N5O3/c1-2-20-11(18)7-14-12(19)10-8-17(16-15-10)9-3-5-13-6-4-9/h8-9,13H,2-7H2,1H3,(H,14,19)
InChIKeyCAOWOGUFQFJGCO-UHFFFAOYSA-N
MW281.32 g/mol
LogP-0.50
Rot. Bonds5

About ethyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate

ethyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate (PubChem CID 63283121) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is ethyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate
PubChem CID63283121
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC Nameethyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C12H19N5O3/c1-2-20-11(18)7-14-12(19)10-8-17(16-15-10)9-3-5-13-6-4-9/h8-9,13H,2-7H2,1H3,(H,14,19)
InChIKeyCAOWOGUFQFJGCO-UHFFFAOYSA-N
XLogP-0.50
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate
CID 63283122
ethyl 4-[(1-piperidin-4-yltriazole-4-carbonyl)amino]butanoate
CID 119726260
N-[2-(4-ethoxyanilino)-2-oxoethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119752139
ethyl 4-[[(1-piperidin-4-yltriazole-4-carbonyl)amino]methyl]benzoate;hydrochloride
CID 119746496
methyl 2-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]acetate
CID 79317214
1-piperidin-4-yl-N-prop-2-ynyltriazole-4-carboxamide
CID 63283381
N-(2-acetamidoethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63283255
ethyl 2-phenyl-3-[(1-piperidin-4-yltriazole-4-carbonyl)amino]propanoate;hydrochloride
CID 119805449
N-(3-methylpentan-3-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119785981
N-(cyclobutylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119724139
N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119673779
ethyl 4-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride
CID 119672434

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate (CID 63283121) is ethyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate is CCOC(=O)CNC(=O)c1cn(C2CCNCC2)nn1.
What is the InChIKey of ethyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate?
The InChIKey is CAOWOGUFQFJGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3/c1-2-20-11(18)7-14-12(19)10-8-17(16-15-10)9-3-5-13-6-4-9/h8-9,13H,2-7H2,1H3,(H,14,19).
What are the key properties of ethyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate?
ethyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate has a molecular weight of 281.32 g/mol, XLogP of -0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate is sourced from PubChem (CID 63283121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).