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

C17H30ClN5O — CID 119716143

IUPACN-(4-ethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCCC1CCC(NC(=O)c2nnn(C3CCNCC3)c2C)CC1.Cl
InChIInChI=1S/C17H29N5O.ClH/c1-3-13-4-6-14(7-5-13)19-17(23)16-12(2)22(21-20-16)15-8-10-18-11-9-15;/h13-15,18H,3-11H2,1-2H3,(H,19,23);1H
InChIKeyJJIKMKMKLIVRSM-UHFFFAOYSA-N
MW355.91 g/mol
LogP2.63
Rot. Bonds4

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

N-(4-ethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119716143) has the molecular formula C17H30ClN5O and a molecular weight of 355.91 g/mol. Its IUPAC name is N-(4-ethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-ethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119716143
Molecular FormulaC17H30ClN5O
Molecular Weight355.91 g/mol
Exact Mass355.21
IUPAC NameN-(4-ethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCCC1CCC(NC(=O)c2nnn(C3CCNCC3)c2C)CC1.Cl
InChIInChI=1S/C17H29N5O.ClH/c1-3-13-4-6-14(7-5-13)19-17(23)16-12(2)22(21-20-16)15-8-10-18-11-9-15;/h13-15,18H,3-11H2,1-2H3,(H,19,23);1H
InChIKeyJJIKMKMKLIVRSM-UHFFFAOYSA-N
XLogP2.63
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(4-ethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119716143) is N-(4-ethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-ethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(4-ethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is CCC1CCC(NC(=O)c2nnn(C3CCNCC3)c2C)CC1.Cl.
What is the InChIKey of N-(4-ethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is JJIKMKMKLIVRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O.ClH/c1-3-13-4-6-14(7-5-13)19-17(23)16-12(2)22(21-20-16)15-8-10-18-11-9-15;/h13-15,18H,3-11H2,1-2H3,(H,19,23);1H.
What are the key properties of N-(4-ethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-(4-ethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 355.91 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119716143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).