5-methyl-1-piperidin-4-yl-N-(2-propylhexyl)triazole-4-carboxamide;hydrochloride

C18H34ClN5O — CID 119811871

IUPAC5-methyl-1-piperidin-4-yl-N-(2-propylhexyl)triazole-4-carboxamide;hydrochloride
SMILESCCCCC(CCC)CNC(=O)c1nnn(C2CCNCC2)c1C.Cl
InChIInChI=1S/C18H33N5O.ClH/c1-4-6-8-15(7-5-2)13-20-18(24)17-14(3)23(22-21-17)16-9-11-19-12-10-16;/h15-16,19H,4-13H2,1-3H3,(H,20,24);1H
InChIKeySEYAVMUHFZMSGY-UHFFFAOYSA-N
MW371.96 g/mol
LogP3.27
Rot. Bonds9

About 5-methyl-1-piperidin-4-yl-N-(2-propylhexyl)triazole-4-carboxamide;hydrochloride

5-methyl-1-piperidin-4-yl-N-(2-propylhexyl)triazole-4-carboxamide;hydrochloride (PubChem CID 119811871) has the molecular formula C18H34ClN5O and a molecular weight of 371.96 g/mol. Its IUPAC name is 5-methyl-1-piperidin-4-yl-N-(2-propylhexyl)triazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-methyl-1-piperidin-4-yl-N-(2-propylhexyl)triazole-4-carboxamide;hydrochloride
PubChem CID119811871
Molecular FormulaC18H34ClN5O
Molecular Weight371.96 g/mol
Exact Mass371.25
IUPAC Name5-methyl-1-piperidin-4-yl-N-(2-propylhexyl)triazole-4-carboxamide;hydrochloride
SMILESCCCCC(CCC)CNC(=O)c1nnn(C2CCNCC2)c1C.Cl
InChIInChI=1S/C18H33N5O.ClH/c1-4-6-8-15(7-5-2)13-20-18(24)17-14(3)23(22-21-17)16-9-11-19-12-10-16;/h15-16,19H,4-13H2,1-3H3,(H,20,24);1H
InChIKeySEYAVMUHFZMSGY-UHFFFAOYSA-N
XLogP3.27
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.96
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119671844
N-(2-cyclohexyl-2-hydroxyethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119731690
5-methyl-N-(3-methylbutan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119678385
N-(2,2-diphenylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119688023
N-butyl-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672305
ethyl 3-[(5-methyl-1-piperidin-4-yltriazole-4-carbonyl)amino]-2-phenylpropanoate
CID 119805444
N-(2-cyclopropylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119790407
N-[2-(diethylamino)-2-phenylethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119399163
5-methyl-1-piperidin-4-yl-N-[(1-propylpiperidin-4-yl)methyl]triazole-4-carboxamide
CID 119861418
N-(3-ethyl-2-morpholin-4-ylpentyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119841658
N-(2-cyclohexylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119725707
N-(4-ethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119716143

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-piperidin-4-yl-N-(2-propylhexyl)triazole-4-carboxamide;hydrochloride?
The IUPAC name of 5-methyl-1-piperidin-4-yl-N-(2-propylhexyl)triazole-4-carboxamide;hydrochloride (CID 119811871) is 5-methyl-1-piperidin-4-yl-N-(2-propylhexyl)triazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 5-methyl-1-piperidin-4-yl-N-(2-propylhexyl)triazole-4-carboxamide;hydrochloride?
The canonical SMILES for 5-methyl-1-piperidin-4-yl-N-(2-propylhexyl)triazole-4-carboxamide;hydrochloride is CCCCC(CCC)CNC(=O)c1nnn(C2CCNCC2)c1C.Cl.
What is the InChIKey of 5-methyl-1-piperidin-4-yl-N-(2-propylhexyl)triazole-4-carboxamide;hydrochloride?
The InChIKey is SEYAVMUHFZMSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N5O.ClH/c1-4-6-8-15(7-5-2)13-20-18(24)17-14(3)23(22-21-17)16-9-11-19-12-10-16;/h15-16,19H,4-13H2,1-3H3,(H,20,24);1H.
What are the key properties of 5-methyl-1-piperidin-4-yl-N-(2-propylhexyl)triazole-4-carboxamide;hydrochloride?
5-methyl-1-piperidin-4-yl-N-(2-propylhexyl)triazole-4-carboxamide;hydrochloride has a molecular weight of 371.96 g/mol, XLogP of 3.27, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-piperidin-4-yl-N-(2-propylhexyl)triazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119811871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).