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

C17H30ClN5OS — CID 119818944

IUPACN-(3-ethylsulfanylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCCSC1CCCC(NC(=O)c2nnn(C3CCNCC3)c2C)C1.Cl
InChIInChI=1S/C17H29N5OS.ClH/c1-3-24-15-6-4-5-13(11-15)19-17(23)16-12(2)22(21-20-16)14-7-9-18-10-8-14;/h13-15,18H,3-11H2,1-2H3,(H,19,23);1H
InChIKeyVGCHGXYIPIXLIO-UHFFFAOYSA-N
MW387.98 g/mol
LogP2.73
Rot. Bonds5

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

N-(3-ethylsulfanylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119818944) has the molecular formula C17H30ClN5OS and a molecular weight of 387.98 g/mol. Its IUPAC name is N-(3-ethylsulfanylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-ethylsulfanylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119818944
Molecular FormulaC17H30ClN5OS
Molecular Weight387.98 g/mol
Exact Mass387.19
IUPAC NameN-(3-ethylsulfanylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCCSC1CCCC(NC(=O)c2nnn(C3CCNCC3)c2C)C1.Cl
InChIInChI=1S/C17H29N5OS.ClH/c1-3-24-15-6-4-5-13(11-15)19-17(23)16-12(2)22(21-20-16)14-7-9-18-10-8-14;/h13-15,18H,3-11H2,1-2H3,(H,19,23);1H
InChIKeyVGCHGXYIPIXLIO-UHFFFAOYSA-N
XLogP2.73
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.98
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-ethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119793290
5-methyl-N-(3-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119716278
N-cyclopentyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119674072
N-[3-(dimethylamino)cyclohexyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119889049
N-(4-ethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119716143
N-(3-ethoxyspiro[3.3]heptan-1-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119803468
N-(2-cyclopropylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119790407
N-butyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119671844
N-(2-cyclohexylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119725707
N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 124683410
N-(1-benzylpiperidin-3-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119855950
N-[2-(3,5-dimethylphenoxy)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119746736

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfanylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(3-ethylsulfanylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119818944) is N-(3-ethylsulfanylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-ethylsulfanylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(3-ethylsulfanylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is CCSC1CCCC(NC(=O)c2nnn(C3CCNCC3)c2C)C1.Cl.
What is the InChIKey of N-(3-ethylsulfanylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is VGCHGXYIPIXLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5OS.ClH/c1-3-24-15-6-4-5-13(11-15)19-17(23)16-12(2)22(21-20-16)14-7-9-18-10-8-14;/h13-15,18H,3-11H2,1-2H3,(H,19,23);1H.
What are the key properties of N-(3-ethylsulfanylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-(3-ethylsulfanylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 387.98 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfanylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119818944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).