1-piperidin-4-yl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]triazole-4-carboxamide

C15H22N6OS — CID 119892403

IUPAC1-piperidin-4-yl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]triazole-4-carboxamide
SMILESCCC(C)(NC(=O)c1cn(C2CCNCC2)nn1)c1nccs1
InChIInChI=1S/C15H22N6OS/c1-3-15(2,14-17-8-9-23-14)18-13(22)12-10-21(20-19-12)11-4-6-16-7-5-11/h8-11,16H,3-7H2,1-2H3,(H,18,22)
InChIKeyOCXGHBSBDHMXIT-UHFFFAOYSA-N
MW334.45 g/mol
LogP1.71
Rot. Bonds5

About 1-piperidin-4-yl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]triazole-4-carboxamide

1-piperidin-4-yl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]triazole-4-carboxamide (PubChem CID 119892403) has the molecular formula C15H22N6OS and a molecular weight of 334.45 g/mol. Its IUPAC name is 1-piperidin-4-yl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-piperidin-4-yl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]triazole-4-carboxamide
PubChem CID119892403
Molecular FormulaC15H22N6OS
Molecular Weight334.45 g/mol
Exact Mass334.16
IUPAC Name1-piperidin-4-yl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]triazole-4-carboxamide
SMILESCCC(C)(NC(=O)c1cn(C2CCNCC2)nn1)c1nccs1
InChIInChI=1S/C15H22N6OS/c1-3-15(2,14-17-8-9-23-14)18-13(22)12-10-21(20-19-12)11-4-6-16-7-5-11/h8-11,16H,3-7H2,1-2H3,(H,18,22)
InChIKeyOCXGHBSBDHMXIT-UHFFFAOYSA-N
XLogP1.71
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119891994
N-(3-methylpentan-3-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119785981
N-(2-phenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119709312
N-[2-(1,3-thiazol-2-yl)butan-2-yl]pyrrolidine-3-carboxamide
CID 119892445
ethyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate
CID 63283121
methyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate
CID 63283122
5-[2-(1,3-thiazol-2-yl)butan-2-ylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685730
N-[2-(4-bromophenyl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119734251
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119705877
1-piperidin-4-yl-N-(5-propyl-1,3,4-thiadiazol-2-yl)triazole-4-carboxamide
CID 119688117
N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119893954
1-piperidin-4-yl-N-prop-2-ynyltriazole-4-carboxamide
CID 63283381

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]triazole-4-carboxamide?
The IUPAC name of 1-piperidin-4-yl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]triazole-4-carboxamide (CID 119892403) is 1-piperidin-4-yl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]triazole-4-carboxamide.
What is the SMILES notation for 1-piperidin-4-yl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]triazole-4-carboxamide?
The canonical SMILES for 1-piperidin-4-yl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]triazole-4-carboxamide is CCC(C)(NC(=O)c1cn(C2CCNCC2)nn1)c1nccs1.
What is the InChIKey of 1-piperidin-4-yl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]triazole-4-carboxamide?
The InChIKey is OCXGHBSBDHMXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6OS/c1-3-15(2,14-17-8-9-23-14)18-13(22)12-10-21(20-19-12)11-4-6-16-7-5-11/h8-11,16H,3-7H2,1-2H3,(H,18,22).
What are the key properties of 1-piperidin-4-yl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]triazole-4-carboxamide?
1-piperidin-4-yl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]triazole-4-carboxamide has a molecular weight of 334.45 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]triazole-4-carboxamide is sourced from PubChem (CID 119892403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).