N-[1-(4-bromophenyl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C17H23BrClN5O — CID 119734870

IUPACN-[1-(4-bromophenyl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCC(Cc1ccc(Br)cc1)NC(=O)c1cn(C2CCNCC2)nn1.Cl
InChIInChI=1S/C17H22BrN5O.ClH/c1-12(10-13-2-4-14(18)5-3-13)20-17(24)16-11-23(22-21-16)15-6-8-19-9-7-15;/h2-5,11-12,15,19H,6-10H2,1H3,(H,20,24);1H
InChIKeyQANZCDRIIHXNOM-UHFFFAOYSA-N
MW428.76 g/mol
LogP2.75
Rot. Bonds5

About N-[1-(4-bromophenyl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-[1-(4-bromophenyl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119734870) has the molecular formula C17H23BrClN5O and a molecular weight of 428.76 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119734870
Molecular FormulaC17H23BrClN5O
Molecular Weight428.76 g/mol
Exact Mass427.08
IUPAC NameN-[1-(4-bromophenyl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCC(Cc1ccc(Br)cc1)NC(=O)c1cn(C2CCNCC2)nn1.Cl
InChIInChI=1S/C17H22BrN5O.ClH/c1-12(10-13-2-4-14(18)5-3-13)20-17(24)16-11-23(22-21-16)15-6-8-19-9-7-15;/h2-5,11-12,15,19H,6-10H2,1H3,(H,20,24);1H
InChIKeyQANZCDRIIHXNOM-UHFFFAOYSA-N
XLogP2.75
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.76
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-bromophenyl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119734871
N-(1-hydroxypropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63282853
1-piperidin-4-yl-N-(1-thiophen-2-ylpropan-2-yl)triazole-4-carboxamide
CID 119722713
N-heptan-2-yl-1-piperidin-4-yltriazole-4-carboxamide
CID 63283433
2-(4-bromophenyl)-1-(1-piperidin-4-yltriazol-4-yl)ethanone
CID 116567853
N-(4-ethylsulfanylbutan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 115740009
N-[2-(4-bromophenyl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119734251
N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119673779
N-[1-(3-methylpiperidin-1-yl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119863230
N-(1,1-diphenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119716613
N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119887634
N-(1,1-diphenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119716614

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[1-(4-bromophenyl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119734870) is N-[1-(4-bromophenyl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(4-bromophenyl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(4-bromophenyl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is CC(Cc1ccc(Br)cc1)NC(=O)c1cn(C2CCNCC2)nn1.Cl.
What is the InChIKey of N-[1-(4-bromophenyl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is QANZCDRIIHXNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN5O.ClH/c1-12(10-13-2-4-14(18)5-3-13)20-17(24)16-11-23(22-21-16)15-6-8-19-9-7-15;/h2-5,11-12,15,19H,6-10H2,1H3,(H,20,24);1H.
What are the key properties of N-[1-(4-bromophenyl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-[1-(4-bromophenyl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 428.76 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119734870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).