N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C12H22ClN5O — CID 119673779

IUPACN-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCC(C)CNC(=O)c1cn(C2CCNCC2)nn1.Cl
InChIInChI=1S/C12H21N5O.ClH/c1-9(2)7-14-12(18)11-8-17(16-15-11)10-3-5-13-6-4-10;/h8-10,13H,3-7H2,1-2H3,(H,14,18);1H
InChIKeyTVSGITULMNGZKE-UHFFFAOYSA-N
MW287.80 g/mol
LogP1.01
Rot. Bonds4

About N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119673779) has the molecular formula C12H22ClN5O and a molecular weight of 287.80 g/mol. Its IUPAC name is N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119673779
Molecular FormulaC12H22ClN5O
Molecular Weight287.80 g/mol
Exact Mass287.15
IUPAC NameN-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCC(C)CNC(=O)c1cn(C2CCNCC2)nn1.Cl
InChIInChI=1S/C12H21N5O.ClH/c1-9(2)7-14-12(18)11-8-17(16-15-11)10-3-5-13-6-4-10;/h8-10,13H,3-7H2,1-2H3,(H,14,18);1H
InChIKeyTVSGITULMNGZKE-UHFFFAOYSA-N
XLogP1.01
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.80
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-hydroxybutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75373004
N-[2-(4-methylpiperidin-1-yl)propyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119866548
N-(2-phenylsulfanylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119804407
N-[2-(4-fluorophenoxy)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119804464
N-(2-hydroxy-4,4-dimethylpentyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119793062
1-piperidin-4-yl-N-prop-2-ynyltriazole-4-carboxamide
CID 63283381
N-(2-acetamidoethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63283255
methyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate
CID 63283122
N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119792678
N-(1-hydroxypropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63282853
N-(cyclobutylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119724139
N-[2-(2-fluorophenoxy)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119804852

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119673779) is N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is CC(C)CNC(=O)c1cn(C2CCNCC2)nn1.Cl.
What is the InChIKey of N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is TVSGITULMNGZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O.ClH/c1-9(2)7-14-12(18)11-8-17(16-15-11)10-3-5-13-6-4-10;/h8-10,13H,3-7H2,1-2H3,(H,14,18);1H.
What are the key properties of N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 287.80 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119673779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).