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

C14H26ClN5OS — CID 119790971

IUPAC5-methyl-N-(2-methyl-2-methylsulfanylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCSC(C)(C)CNC(=O)c1nnn(C2CCNCC2)c1C.Cl
InChIInChI=1S/C14H25N5OS.ClH/c1-10-12(13(20)16-9-14(2,3)21-4)17-18-19(10)11-5-7-15-8-6-11;/h11,15H,5-9H2,1-4H3,(H,16,20);1H
InChIKeyBQZHOMRJSHJICM-UHFFFAOYSA-N
MW347.92 g/mol
LogP1.80
Rot. Bonds5

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

5-methyl-N-(2-methyl-2-methylsulfanylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119790971) has the molecular formula C14H26ClN5OS and a molecular weight of 347.92 g/mol. Its IUPAC name is 5-methyl-N-(2-methyl-2-methylsulfanylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-methyl-N-(2-methyl-2-methylsulfanylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119790971
Molecular FormulaC14H26ClN5OS
Molecular Weight347.92 g/mol
Exact Mass347.15
IUPAC Name5-methyl-N-(2-methyl-2-methylsulfanylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCSC(C)(C)CNC(=O)c1nnn(C2CCNCC2)c1C.Cl
InChIInChI=1S/C14H25N5OS.ClH/c1-10-12(13(20)16-9-14(2,3)21-4)17-18-19(10)11-5-7-15-8-6-11;/h11,15H,5-9H2,1-4H3,(H,16,20);1H
InChIKeyBQZHOMRJSHJICM-UHFFFAOYSA-N
XLogP1.80
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.92
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-cyclopropylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119790407
N-[2-(2-fluorophenyl)-2-methylpropyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119766068
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
5-methyl-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119863571
5-methyl-N-[2-methyl-2-(3-methylphenyl)propyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119756975
N-cyclopentyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119674072
5-methyl-N-(3-methylbutan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119678385
N-(2-cyclohexyl-2-hydroxyethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119731690
N-[2-(1-adamantyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119679465
N-(3,5-difluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119696872
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-N-(2-methyl-2-methylsulfanylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of 5-methyl-N-(2-methyl-2-methylsulfanylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119790971) is 5-methyl-N-(2-methyl-2-methylsulfanylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 5-methyl-N-(2-methyl-2-methylsulfanylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for 5-methyl-N-(2-methyl-2-methylsulfanylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is CSC(C)(C)CNC(=O)c1nnn(C2CCNCC2)c1C.Cl.
What is the InChIKey of 5-methyl-N-(2-methyl-2-methylsulfanylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is BQZHOMRJSHJICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5OS.ClH/c1-10-12(13(20)16-9-14(2,3)21-4)17-18-19(10)11-5-7-15-8-6-11;/h11,15H,5-9H2,1-4H3,(H,16,20);1H.
What are the key properties of 5-methyl-N-(2-methyl-2-methylsulfanylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
5-methyl-N-(2-methyl-2-methylsulfanylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 347.92 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-methyl-2-methylsulfanylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119790971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).