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

C13H24ClN5O — CID 119672309

IUPACN-butyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCCCCN(C)C(=O)c1cn(C2CCNCC2)nn1.Cl
InChIInChI=1S/C13H23N5O.ClH/c1-3-4-9-17(2)13(19)12-10-18(16-15-12)11-5-7-14-8-6-11;/h10-11,14H,3-9H2,1-2H3;1H
InChIKeyMCCGHVIGYBICAT-UHFFFAOYSA-N
MW301.82 g/mol
LogP1.50
Rot. Bonds5

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

N-butyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119672309) has the molecular formula C13H24ClN5O and a molecular weight of 301.82 g/mol. Its IUPAC name is N-butyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-butyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119672309
Molecular FormulaC13H24ClN5O
Molecular Weight301.82 g/mol
Exact Mass301.17
IUPAC NameN-butyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCCCCN(C)C(=O)c1cn(C2CCNCC2)nn1.Cl
InChIInChI=1S/C13H23N5O.ClH/c1-3-4-9-17(2)13(19)12-10-18(16-15-12)11-5-7-14-8-6-11;/h10-11,14H,3-9H2,1-2H3;1H
InChIKeyMCCGHVIGYBICAT-UHFFFAOYSA-N
XLogP1.50
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[methyl-(1-piperidin-4-yltriazole-4-carbonyl)amino]butanoic acid
CID 63284811
N-butyl-N-cyclopropyl-1-piperidin-4-yltriazole-4-carboxamide
CID 63283305
N-methyl-N-(2-methylsulfonylethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 79841941
N-[3-(4-methoxyphenyl)propyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119739216
N,N-diethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119671423
N-butan-2-yl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119737731
N-butyl-N-(1-phenylethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119797616
N-[3-(dipropylamino)propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119861207
1-(azetidin-3-yl)-N-(3-hydroxypropyl)-N-methyltriazole-4-carboxamide
CID 114230177
N-[(3,5-dichlorophenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119733735
N-(1H-imidazol-2-ylmethyl)-N-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 64518073
N,N-bis(3-methylbutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672595

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-butyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119672309) is N-butyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-butyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-butyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is CCCCN(C)C(=O)c1cn(C2CCNCC2)nn1.Cl.
What is the InChIKey of N-butyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is MCCGHVIGYBICAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O.ClH/c1-3-4-9-17(2)13(19)12-10-18(16-15-12)11-5-7-14-8-6-11;/h10-11,14H,3-9H2,1-2H3;1H.
What are the key properties of N-butyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-butyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 301.82 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119672309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).