N-(3-bromo-4-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide

C15H18BrN5O — CID 119704614

IUPACN-(3-bromo-4-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cn(C3CCNCC3)nn2)cc1Br
InChIInChI=1S/C15H18BrN5O/c1-10-2-3-11(8-13(10)16)18-15(22)14-9-21(20-19-14)12-4-6-17-7-5-12/h2-3,8-9,12,17H,4-7H2,1H3,(H,18,22)
InChIKeyCOWYUOSBRMAMIV-UHFFFAOYSA-N
MW364.25 g/mol
LogP2.53
Rot. Bonds3

About N-(3-bromo-4-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide

N-(3-bromo-4-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119704614) has the molecular formula C15H18BrN5O and a molecular weight of 364.25 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119704614
Molecular FormulaC15H18BrN5O
Molecular Weight364.25 g/mol
Exact Mass363.07
IUPAC NameN-(3-bromo-4-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cn(C3CCNCC3)nn2)cc1Br
InChIInChI=1S/C15H18BrN5O/c1-10-2-3-11(8-13(10)16)18-15(22)14-9-21(20-19-14)12-4-6-17-7-5-12/h2-3,8-9,12,17H,4-7H2,1H3,(H,18,22)
InChIKeyCOWYUOSBRMAMIV-UHFFFAOYSA-N
XLogP2.53
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.25
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-bromo-4-methoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119770027
N-(3,4-dichlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75419668
N-(3,4-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119673598
N-[3-(difluoromethoxy)-4-methylphenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119786724
N-(2,5-dimethylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119669252
N-[4-(cyclopropylcarbamoylamino)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119702447
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119718961
N-(1H-indol-5-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119702697
N-(3,5-dimethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119673884
methyl 3-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride
CID 119679642
ethyl 4-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride
CID 119672434
N-(2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670454

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide (CID 119704614) is N-(3-bromo-4-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide is Cc1ccc(NC(=O)c2cn(C3CCNCC3)nn2)cc1Br.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is COWYUOSBRMAMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN5O/c1-10-2-3-11(8-13(10)16)18-15(22)14-9-21(20-19-14)12-4-6-17-7-5-12/h2-3,8-9,12,17H,4-7H2,1H3,(H,18,22).
What are the key properties of N-(3-bromo-4-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide?
N-(3-bromo-4-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 364.25 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119704614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).