5-methyl-N-(3-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C16H28ClN5O — CID 119716278

IUPAC5-methyl-N-(3-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)NC2CCCC(C)C2)nnn1C1CCNCC1.Cl
InChIInChI=1S/C16H27N5O.ClH/c1-11-4-3-5-13(10-11)18-16(22)15-12(2)21(20-19-15)14-6-8-17-9-7-14;/h11,13-14,17H,3-10H2,1-2H3,(H,18,22);1H
InChIKeyPOPQRORHQJVDDA-UHFFFAOYSA-N
MW341.89 g/mol
LogP2.24
Rot. Bonds3

About 5-methyl-N-(3-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

5-methyl-N-(3-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119716278) has the molecular formula C16H28ClN5O and a molecular weight of 341.89 g/mol. Its IUPAC name is 5-methyl-N-(3-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-methyl-N-(3-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119716278
Molecular FormulaC16H28ClN5O
Molecular Weight341.89 g/mol
Exact Mass341.20
IUPAC Name5-methyl-N-(3-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)NC2CCCC(C)C2)nnn1C1CCNCC1.Cl
InChIInChI=1S/C16H27N5O.ClH/c1-11-4-3-5-13(10-11)18-16(22)15-12(2)21(20-19-15)14-6-8-17-9-7-14;/h11,13-14,17H,3-10H2,1-2H3,(H,18,22);1H
InChIKeyPOPQRORHQJVDDA-UHFFFAOYSA-N
XLogP2.24
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.89
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119674072
N-(3-ethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119793290
N-[3-(dimethylamino)cyclohexyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119889049
N-(3-ethylsulfanylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119818944
N-(4-ethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119716143
N-(2-cyclopropylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119790407
N-(2-cyclohexylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119725707
N,5-dimethyl-N-(3-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119717301
5-methyl-N-(3-methylbutan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119678385
N-butyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119671844
N-(3-methoxy-2,2,3-trimethylcyclobutyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119817932
N-(3-ethoxyspiro[3.3]heptan-1-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119803468

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of 5-methyl-N-(3-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119716278) is 5-methyl-N-(3-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 5-methyl-N-(3-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for 5-methyl-N-(3-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is Cc1c(C(=O)NC2CCCC(C)C2)nnn1C1CCNCC1.Cl.
What is the InChIKey of 5-methyl-N-(3-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is POPQRORHQJVDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O.ClH/c1-11-4-3-5-13(10-11)18-16(22)15-12(2)21(20-19-15)14-6-8-17-9-7-14;/h11,13-14,17H,3-10H2,1-2H3,(H,18,22);1H.
What are the key properties of 5-methyl-N-(3-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
5-methyl-N-(3-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 341.89 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119716278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).