N-(3-ethylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide

C16H27N5O — CID 119793298

IUPACN-(3-ethylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESCCC1CCCC(NC(=O)c2cn(C3CCNCC3)nn2)C1
InChIInChI=1S/C16H27N5O/c1-2-12-4-3-5-13(10-12)18-16(22)15-11-21(20-19-15)14-6-8-17-9-7-14/h11-14,17H,2-10H2,1H3,(H,18,22)
InChIKeyTZDAVXQDPTVDGO-UHFFFAOYSA-N
MW305.43 g/mol
LogP1.90
Rot. Bonds4

About N-(3-ethylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide

N-(3-ethylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119793298) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is N-(3-ethylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119793298
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC NameN-(3-ethylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESCCC1CCCC(NC(=O)c2cn(C3CCNCC3)nn2)C1
InChIInChI=1S/C16H27N5O/c1-2-12-4-3-5-13(10-12)18-16(22)15-11-21(20-19-15)14-6-8-17-9-7-14/h11-14,17H,2-10H2,1H3,(H,18,22)
InChIKeyTZDAVXQDPTVDGO-UHFFFAOYSA-N
XLogP1.90
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-ethylpiperidin-3-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119862379
N-(4-aminocyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63284768
N-(cyclobutylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119724139
N-(3-ethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119793290
N-(2-ethylsulfanylcyclopentyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119818847
N-(2-cyclohexylethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119725715
1-(4-aminocyclohexyl)-N-[(3S)-piperidin-3-yl]triazole-4-carboxamide
CID 70768511
N-[2-(cycloheptylamino)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 122080776
N-[1-(2-methylpropyl)piperidin-4-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119841077
N-(cyclohexylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672522
N-(3-phenylcyclobutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119774767
N-(2-acetamidoethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63283255

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-(3-ethylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide (CID 119793298) is N-(3-ethylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-(3-ethylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-(3-ethylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide is CCC1CCCC(NC(=O)c2cn(C3CCNCC3)nn2)C1.
What is the InChIKey of N-(3-ethylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is TZDAVXQDPTVDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O/c1-2-12-4-3-5-13(10-12)18-16(22)15-11-21(20-19-15)14-6-8-17-9-7-14/h11-14,17H,2-10H2,1H3,(H,18,22).
What are the key properties of N-(3-ethylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide?
N-(3-ethylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 305.43 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119793298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).