5-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]triazole-4-carboxamide

C12H19N5O2 — CID 82202751

IUPAC5-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]triazole-4-carboxamide
SMILESCc1c(C(N)=O)nnn1CC(=O)N1CCC(C)CC1
InChIInChI=1S/C12H19N5O2/c1-8-3-5-16(6-4-8)10(18)7-17-9(2)11(12(13)19)14-15-17/h8H,3-7H2,1-2H3,(H2,13,19)
InChIKeyIKBYQGSNXACSRT-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.06
Rot. Bonds3

About 5-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]triazole-4-carboxamide

5-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]triazole-4-carboxamide (PubChem CID 82202751) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 5-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]triazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]triazole-4-carboxamide
PubChem CID82202751
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name5-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]triazole-4-carboxamide
SMILESCc1c(C(N)=O)nnn1CC(=O)N1CCC(C)CC1
InChIInChI=1S/C12H19N5O2/c1-8-3-5-16(6-4-8)10(18)7-17-9(2)11(12(13)19)14-15-17/h8H,3-7H2,1-2H3,(H2,13,19)
InChIKeyIKBYQGSNXACSRT-UHFFFAOYSA-N
XLogP-0.06
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(1R)-1-[(1-cyclohexyl-5-methyltriazole-4-carbonyl)amino]-3-methylbutyl]boronic acid
CID 177377104
N-[(3S)-1-(cyclopentylmethyl)pyrrolidin-3-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 124698034
[(4aS,7aS)-6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl]-(5-methyl-1-propan-2-yltriazol-4-yl)methanone
CID 138000779
(5-Methyl-1-piperidin-4-yltriazol-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride
CID 119682749
(5-Methyl-1-piperidin-4-yltriazol-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 119682750
(5-Methyl-1-piperidin-4-yltriazol-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride
CID 119707244
(5-Methyl-1-piperidin-4-yltriazol-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 119707245
N-butyl-5-methyl-1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide;hydrochloride
CID 119733454
N-butyl-5-methyl-1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide
CID 119733455
N-(2,2-difluoroethyl)-5-methyl-1-piperidin-4-yl-N-propyltriazole-4-carboxamide
CID 119764092
5-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119855320
(2S,4R)-1-[1-(cyclopentylmethyl)-5-methyltriazole-4-carbonyl]-4-fluoropyrrolidine-2-carboxamide
CID 120965493

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]triazole-4-carboxamide?
The IUPAC name of 5-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]triazole-4-carboxamide (CID 82202751) is 5-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]triazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]triazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]triazole-4-carboxamide is Cc1c(C(N)=O)nnn1CC(=O)N1CCC(C)CC1.
What is the InChIKey of 5-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]triazole-4-carboxamide?
The InChIKey is IKBYQGSNXACSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-8-3-5-16(6-4-8)10(18)7-17-9(2)11(12(13)19)14-15-17/h8H,3-7H2,1-2H3,(H2,13,19).
What are the key properties of 5-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]triazole-4-carboxamide?
5-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]triazole-4-carboxamide has a molecular weight of 265.32 g/mol, XLogP of -0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]triazole-4-carboxamide is sourced from PubChem (CID 82202751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).