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

C11H17N5O3 — CID 63283122

IUPACmethyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C11H17N5O3/c1-19-10(17)6-13-11(18)9-7-16(15-14-9)8-2-4-12-5-3-8/h7-8,12H,2-6H2,1H3,(H,13,18)
InChIKeyCOLVUGYXWGSHCE-UHFFFAOYSA-N
MW267.29 g/mol
LogP-0.89
Rot. Bonds4

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

methyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate (PubChem CID 63283122) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is methyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate
PubChem CID63283122
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Namemethyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C11H17N5O3/c1-19-10(17)6-13-11(18)9-7-16(15-14-9)8-2-4-12-5-3-8/h7-8,12H,2-6H2,1H3,(H,13,18)
InChIKeyCOLVUGYXWGSHCE-UHFFFAOYSA-N
XLogP-0.89
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate
CID 63283121
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
N-(cyclobutylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119724139
N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119673779
N-(cyclohexylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672522
ethyl 4-[(1-piperidin-4-yltriazole-4-carbonyl)amino]butanoate
CID 119726260
N-(2-cyclohexylethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119725715
N-(2-hydroxy-4,4-dimethylpentyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119793062
N-(3-methylpentan-3-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119785981
N-(6-hydroxyhexyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 107842557

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate (CID 63283122) is methyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate is COC(=O)CNC(=O)c1cn(C2CCNCC2)nn1.
What is the InChIKey of methyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate?
The InChIKey is COLVUGYXWGSHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3/c1-19-10(17)6-13-11(18)9-7-16(15-14-9)8-2-4-12-5-3-8/h7-8,12H,2-6H2,1H3,(H,13,18).
What are the key properties of methyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate?
methyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate has a molecular weight of 267.29 g/mol, XLogP of -0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate is sourced from PubChem (CID 63283122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).