N-butyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C13H24ClN5O — CID 119671844

IUPACN-butyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCCCCNC(=O)c1nnn(C2CCNCC2)c1C.Cl
InChIInChI=1S/C13H23N5O.ClH/c1-3-4-7-15-13(19)12-10(2)18(17-16-12)11-5-8-14-9-6-11;/h11,14H,3-9H2,1-2H3,(H,15,19);1H
InChIKeyQEXPYDIADLLCPE-UHFFFAOYSA-N
MW301.82 g/mol
LogP1.46
Rot. Bonds5

About N-butyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-butyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119671844) has the molecular formula C13H24ClN5O and a molecular weight of 301.82 g/mol. Its IUPAC name is N-butyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-butyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119671844
Molecular FormulaC13H24ClN5O
Molecular Weight301.82 g/mol
Exact Mass301.17
IUPAC NameN-butyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCCCCNC(=O)c1nnn(C2CCNCC2)c1C.Cl
InChIInChI=1S/C13H23N5O.ClH/c1-3-4-7-15-13(19)12-10(2)18(17-16-12)11-5-8-14-9-6-11;/h11,14H,3-9H2,1-2H3,(H,15,19);1H
InChIKeyQEXPYDIADLLCPE-UHFFFAOYSA-N
XLogP1.46
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyclopropylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119790407
5-methyl-1-piperidin-4-yl-N-(2-propylhexyl)triazole-4-carboxamide;hydrochloride
CID 119811871
methyl 7-[(5-methyl-1-piperidin-4-yltriazole-4-carbonyl)amino]heptanoate;hydrochloride
CID 119701295
N-(2-cyclohexylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119725707
N-butyl-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672305
N-cyclopentyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119674072
N-(4-ethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119716143
5-methyl-N-(3-methylbutan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119678385
5-methyl-N-[2-(4-methylphenoxy)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119681133
N-[2-(3,5-dimethylphenoxy)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119746736
N-[2-(1-adamantyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119679465
N-[2-(3,5-dimethoxyphenoxy)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119822595

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-butyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119671844) is N-butyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-butyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-butyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is CCCCNC(=O)c1nnn(C2CCNCC2)c1C.Cl.
What is the InChIKey of N-butyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is QEXPYDIADLLCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O.ClH/c1-3-4-7-15-13(19)12-10(2)18(17-16-12)11-5-8-14-9-6-11;/h11,14H,3-9H2,1-2H3,(H,15,19);1H.
What are the key properties of N-butyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-butyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 301.82 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119671844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).