N-(2-cyclohexylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C17H30ClN5O — CID 119725707

IUPACN-(2-cyclohexylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)NCCC2CCCCC2)nnn1C1CCNCC1.Cl
InChIInChI=1S/C17H29N5O.ClH/c1-13-16(20-21-22(13)15-8-10-18-11-9-15)17(23)19-12-7-14-5-3-2-4-6-14;/h14-15,18H,2-12H2,1H3,(H,19,23);1H
InChIKeyVPZGJSBJLRJCKR-UHFFFAOYSA-N
MW355.91 g/mol
LogP2.63
Rot. Bonds5

About N-(2-cyclohexylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-(2-cyclohexylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119725707) has the molecular formula C17H30ClN5O and a molecular weight of 355.91 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119725707
Molecular FormulaC17H30ClN5O
Molecular Weight355.91 g/mol
Exact Mass355.21
IUPAC NameN-(2-cyclohexylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)NCCC2CCCCC2)nnn1C1CCNCC1.Cl
InChIInChI=1S/C17H29N5O.ClH/c1-13-16(20-21-22(13)15-8-10-18-11-9-15)17(23)19-12-7-14-5-3-2-4-6-14;/h14-15,18H,2-12H2,1H3,(H,19,23);1H
InChIKeyVPZGJSBJLRJCKR-UHFFFAOYSA-N
XLogP2.63
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.91
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyclopropylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119790407
N-cyclopentyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119674072
N-butyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119671844
N-(3-ethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119793290
N-(2-cyclohexyl-2-hydroxyethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119731690
N-(4-ethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119716143
5-methyl-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 124696094
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119735938
5-methyl-N-(2-methyl-2-methylsulfanylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119790971
methyl 7-[(5-methyl-1-piperidin-4-yltriazole-4-carbonyl)amino]heptanoate;hydrochloride
CID 119701295
5-methyl-N-(3-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119716278
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-(2-cyclohexylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(2-cyclohexylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119725707) is N-(2-cyclohexylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-cyclohexylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2-cyclohexylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is Cc1c(C(=O)NCCC2CCCCC2)nnn1C1CCNCC1.Cl.
What is the InChIKey of N-(2-cyclohexylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is VPZGJSBJLRJCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O.ClH/c1-13-16(20-21-22(13)15-8-10-18-11-9-15)17(23)19-12-7-14-5-3-2-4-6-14;/h14-15,18H,2-12H2,1H3,(H,19,23);1H.
What are the key properties of N-(2-cyclohexylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-(2-cyclohexylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 355.91 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119725707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).