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

C16H28ClN5O — CID 119676474

IUPAC5-methyl-N-(2-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)NC2CCCCC2C)nnn1C1CCNCC1.Cl
InChIInChI=1S/C16H27N5O.ClH/c1-11-5-3-4-6-14(11)18-16(22)15-12(2)21(20-19-15)13-7-9-17-10-8-13;/h11,13-14,17H,3-10H2,1-2H3,(H,18,22);1H
InChIKeyGITHLTWCOSTOHS-UHFFFAOYSA-N
MW341.89 g/mol
LogP2.24
Rot. Bonds3

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

5-methyl-N-(2-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119676474) has the molecular formula C16H28ClN5O and a molecular weight of 341.89 g/mol. Its IUPAC name is 5-methyl-N-(2-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-methyl-N-(2-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119676474
Molecular FormulaC16H28ClN5O
Molecular Weight341.89 g/mol
Exact Mass341.20
IUPAC Name5-methyl-N-(2-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)NC2CCCCC2C)nnn1C1CCNCC1.Cl
InChIInChI=1S/C16H27N5O.ClH/c1-11-5-3-4-6-14(11)18-16(22)15-12(2)21(20-19-15)13-7-9-17-10-8-13;/h11,13-14,17H,3-10H2,1-2H3,(H,18,22);1H
InChIKeyGITHLTWCOSTOHS-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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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of 5-methyl-N-(2-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119676474) is 5-methyl-N-(2-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 5-methyl-N-(2-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for 5-methyl-N-(2-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is Cc1c(C(=O)NC2CCCCC2C)nnn1C1CCNCC1.Cl.
What is the InChIKey of 5-methyl-N-(2-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is GITHLTWCOSTOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O.ClH/c1-11-5-3-4-6-14(11)18-16(22)15-12(2)21(20-19-15)13-7-9-17-10-8-13;/h11,13-14,17H,3-10H2,1-2H3,(H,18,22);1H.
What are the key properties of 5-methyl-N-(2-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
5-methyl-N-(2-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-(2-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119676474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).