N-(2-ethylsulfanylcyclopentyl)-1-piperidin-4-yltriazole-4-carboxamide

C15H25N5OS — CID 119818847

IUPACN-(2-ethylsulfanylcyclopentyl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESCCSC1CCCC1NC(=O)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C15H25N5OS/c1-2-22-14-5-3-4-12(14)17-15(21)13-10-20(19-18-13)11-6-8-16-9-7-11/h10-12,14,16H,2-9H2,1H3,(H,17,21)
InChIKeyLGCNOQLJRHJOAF-UHFFFAOYSA-N
MW323.47 g/mol
LogP1.61
Rot. Bonds5

About N-(2-ethylsulfanylcyclopentyl)-1-piperidin-4-yltriazole-4-carboxamide

N-(2-ethylsulfanylcyclopentyl)-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119818847) has the molecular formula C15H25N5OS and a molecular weight of 323.47 g/mol. Its IUPAC name is N-(2-ethylsulfanylcyclopentyl)-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethylsulfanylcyclopentyl)-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119818847
Molecular FormulaC15H25N5OS
Molecular Weight323.47 g/mol
Exact Mass323.18
IUPAC NameN-(2-ethylsulfanylcyclopentyl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESCCSC1CCCC1NC(=O)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C15H25N5OS/c1-2-22-14-5-3-4-12(14)17-15(21)13-10-20(19-18-13)11-6-8-16-9-7-11/h10-12,14,16H,2-9H2,1H3,(H,17,21)
InChIKeyLGCNOQLJRHJOAF-UHFFFAOYSA-N
XLogP1.61
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.47
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-ethylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119793298
1-(azetidin-3-yl)-N-[2-(hydroxymethyl)cyclopentyl]triazole-4-carboxamide
CID 106361221
N-(1-ethylpiperidin-3-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119862379
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119857978
N-(4-ethylsulfanylbutan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 115740009
N-(cyclobutylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119724139
N-(3-methylpentan-3-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119785981
N-heptan-2-yl-1-piperidin-4-yltriazole-4-carboxamide
CID 63283433
N-(2,2-diethyl-3-methoxycyclobutyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119821910
N-(4-aminocyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63284768
1-piperidin-4-yl-N-prop-2-ynyltriazole-4-carboxamide
CID 63283381
N-(2-acetamidoethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63283255

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylcyclopentyl)-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-(2-ethylsulfanylcyclopentyl)-1-piperidin-4-yltriazole-4-carboxamide (CID 119818847) is N-(2-ethylsulfanylcyclopentyl)-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-(2-ethylsulfanylcyclopentyl)-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-(2-ethylsulfanylcyclopentyl)-1-piperidin-4-yltriazole-4-carboxamide is CCSC1CCCC1NC(=O)c1cn(C2CCNCC2)nn1.
What is the InChIKey of N-(2-ethylsulfanylcyclopentyl)-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is LGCNOQLJRHJOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5OS/c1-2-22-14-5-3-4-12(14)17-15(21)13-10-20(19-18-13)11-6-8-16-9-7-11/h10-12,14,16H,2-9H2,1H3,(H,17,21).
What are the key properties of N-(2-ethylsulfanylcyclopentyl)-1-piperidin-4-yltriazole-4-carboxamide?
N-(2-ethylsulfanylcyclopentyl)-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 323.47 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylcyclopentyl)-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119818847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).