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

C17H23BrClN5O — CID 119734251

IUPACN-[2-(4-bromophenyl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCC(C)(NC(=O)c1cn(C2CCNCC2)nn1)c1ccc(Br)cc1.Cl
InChIInChI=1S/C17H22BrN5O.ClH/c1-17(2,12-3-5-13(18)6-4-12)20-16(24)15-11-23(22-21-15)14-7-9-19-10-8-14;/h3-6,11,14,19H,7-10H2,1-2H3,(H,20,24);1H
InChIKeyXXFARDGJYUHRSS-UHFFFAOYSA-N
MW428.76 g/mol
LogP3.05
Rot. Bonds4

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

N-[2-(4-bromophenyl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119734251) has the molecular formula C17H23BrClN5O and a molecular weight of 428.76 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119734251
Molecular FormulaC17H23BrClN5O
Molecular Weight428.76 g/mol
Exact Mass427.08
IUPAC NameN-[2-(4-bromophenyl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCC(C)(NC(=O)c1cn(C2CCNCC2)nn1)c1ccc(Br)cc1.Cl
InChIInChI=1S/C17H22BrN5O.ClH/c1-17(2,12-3-5-13(18)6-4-12)20-16(24)15-11-23(22-21-15)14-7-9-19-10-8-14;/h3-6,11,14,19H,7-10H2,1-2H3,(H,20,24);1H
InChIKeyXXFARDGJYUHRSS-UHFFFAOYSA-N
XLogP3.05
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.76
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-phenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119709312
N-[2-(3-methylphenyl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119795627
N-(3-methylpentan-3-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119785981
N-[1-(4-bromophenyl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119734870
N-[1-(4-bromophenyl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119734871
N-(4-bromo-2-fluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119673430
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119748169
2-(4-bromophenyl)-1-(1-piperidin-4-yltriazol-4-yl)ethanone
CID 116567853
N-[2-(tert-butylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119707297
methyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate
CID 63283122
N-(4-bromo-2-ethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119812500
N-(3-bromo-4-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119704614

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(4-bromophenyl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119734251) is N-[2-(4-bromophenyl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(4-bromophenyl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(4-bromophenyl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is CC(C)(NC(=O)c1cn(C2CCNCC2)nn1)c1ccc(Br)cc1.Cl.
What is the InChIKey of N-[2-(4-bromophenyl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is XXFARDGJYUHRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN5O.ClH/c1-17(2,12-3-5-13(18)6-4-12)20-16(24)15-11-23(22-21-15)14-7-9-19-10-8-14;/h3-6,11,14,19H,7-10H2,1-2H3,(H,20,24);1H.
What are the key properties of N-[2-(4-bromophenyl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-[2-(4-bromophenyl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 428.76 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119734251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).