N-(3-hydroxybutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C12H22ClN5O2 — CID 75373004

IUPACN-(3-hydroxybutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCC(O)CCNC(=O)c1cn(C2CCNCC2)nn1.Cl
InChIInChI=1S/C12H21N5O2.ClH/c1-9(18)2-7-14-12(19)11-8-17(16-15-11)10-3-5-13-6-4-10;/h8-10,13,18H,2-7H2,1H3,(H,14,19);1H
InChIKeyYTUIPWJYTIQWLD-UHFFFAOYSA-N
MW303.79 g/mol
LogP0.13
Rot. Bonds5

About N-(3-hydroxybutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-(3-hydroxybutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 75373004) has the molecular formula C12H22ClN5O2 and a molecular weight of 303.79 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID75373004
Molecular FormulaC12H22ClN5O2
Molecular Weight303.79 g/mol
Exact Mass303.15
IUPAC NameN-(3-hydroxybutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCC(O)CCNC(=O)c1cn(C2CCNCC2)nn1.Cl
InChIInChI=1S/C12H21N5O2.ClH/c1-9(18)2-7-14-12(19)11-8-17(16-15-11)10-3-5-13-6-4-10;/h8-10,13,18H,2-7H2,1H3,(H,14,19);1H
InChIKeyYTUIPWJYTIQWLD-UHFFFAOYSA-N
XLogP0.13
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(3-hydroxybutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119673779
N-(2-acetamidoethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63283255
N-(5-amino-5-oxopentyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 106235634
1-piperidin-4-yl-N-(3-propan-2-yloxypropyl)triazole-4-carboxamide
CID 63284386
1-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)triazole-4-carboxamide;dihydrochloride
CID 119835561
N-[2-[butan-2-yl(methyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119874287
N-(6-hydroxyhexyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 107842557
N-[3-(dipropylamino)propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119861207
N-[2-[cyclopropyl(methyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119863842
N-but-3-enyl-1-piperidin-4-yltriazole-4-carboxamide
CID 113465689
1-piperidin-4-yl-N-prop-2-ynyltriazole-4-carboxamide
CID 63283381
methyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate
CID 63283122

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(3-hydroxybutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 75373004) is N-(3-hydroxybutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-hydroxybutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(3-hydroxybutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is CC(O)CCNC(=O)c1cn(C2CCNCC2)nn1.Cl.
What is the InChIKey of N-(3-hydroxybutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is YTUIPWJYTIQWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2.ClH/c1-9(18)2-7-14-12(19)11-8-17(16-15-11)10-3-5-13-6-4-10;/h8-10,13,18H,2-7H2,1H3,(H,14,19);1H.
What are the key properties of N-(3-hydroxybutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-(3-hydroxybutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 303.79 g/mol, XLogP of 0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 75373004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).