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

C14H16BrClFN5O — CID 119673430

IUPACN-(4-bromo-2-fluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(Br)cc1F)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C14H15BrFN5O.ClH/c15-9-1-2-12(11(16)7-9)18-14(22)13-8-21(20-19-13)10-3-5-17-6-4-10;/h1-2,7-8,10,17H,3-6H2,(H,18,22);1H
InChIKeyUFEGRPCMLNEUTQ-UHFFFAOYSA-N
MW404.67 g/mol
LogP2.78
Rot. Bonds3

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

N-(4-bromo-2-fluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119673430) has the molecular formula C14H16BrClFN5O and a molecular weight of 404.67 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119673430
Molecular FormulaC14H16BrClFN5O
Molecular Weight404.67 g/mol
Exact Mass403.02
IUPAC NameN-(4-bromo-2-fluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(Br)cc1F)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C14H15BrFN5O.ClH/c15-9-1-2-12(11(16)7-9)18-14(22)13-8-21(20-19-13)10-3-5-17-6-4-10;/h1-2,7-8,10,17H,3-6H2,(H,18,22);1H
InChIKeyUFEGRPCMLNEUTQ-UHFFFAOYSA-N
XLogP2.78
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.67
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119673265
N-(4-bromo-2-ethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119812500
N-(2,3-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119707837
N-(3,4-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119673598
1-piperidin-4-yl-N-(3,4,5-trifluorophenyl)triazole-4-carboxamide
CID 119707993
N-(2,5-dimethylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119669252
N-(2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670454
N-(5-chloro-2-piperidin-1-ylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119829337
N-(2-methoxy-4-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119740560
N-(2-chlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63282984
N-(4-methoxy-2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119709473
N-(3,4-dichlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75419668

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119673430) is N-(4-bromo-2-fluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is Cl.O=C(Nc1ccc(Br)cc1F)c1cn(C2CCNCC2)nn1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is UFEGRPCMLNEUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN5O.ClH/c15-9-1-2-12(11(16)7-9)18-14(22)13-8-21(20-19-13)10-3-5-17-6-4-10;/h1-2,7-8,10,17H,3-6H2,(H,18,22);1H.
What are the key properties of N-(4-bromo-2-fluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-(4-bromo-2-fluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 404.67 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119673430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).