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

C15H18BrN5O2 — CID 119770027

IUPACN-(3-bromo-4-methoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cn(C3CCNCC3)nn2)cc1Br
InChIInChI=1S/C15H18BrN5O2/c1-23-14-3-2-10(8-12(14)16)18-15(22)13-9-21(20-19-13)11-4-6-17-7-5-11/h2-3,8-9,11,17H,4-7H2,1H3,(H,18,22)
InChIKeyTYDJXZXDOIXHDS-UHFFFAOYSA-N
MW380.25 g/mol
LogP2.23
Rot. Bonds4

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

N-(3-bromo-4-methoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119770027) has the molecular formula C15H18BrN5O2 and a molecular weight of 380.25 g/mol. Its IUPAC name is N-(3-bromo-4-methoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-methoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119770027
Molecular FormulaC15H18BrN5O2
Molecular Weight380.25 g/mol
Exact Mass379.06
IUPAC NameN-(3-bromo-4-methoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cn(C3CCNCC3)nn2)cc1Br
InChIInChI=1S/C15H18BrN5O2/c1-23-14-3-2-10(8-12(14)16)18-15(22)13-9-21(20-19-13)11-4-6-17-7-5-11/h2-3,8-9,11,17H,4-7H2,1H3,(H,18,22)
InChIKeyTYDJXZXDOIXHDS-UHFFFAOYSA-N
XLogP2.23
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.25
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-bromo-4-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119704614
N-(4-ethoxy-3-methoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119688375
N-(3,4-dichlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75419668
N-(3,5-dimethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119673884
N-(3,4-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119673598
N-(2-methoxy-4-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119740560
N-[3-(difluoromethoxy)-4-methylphenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119786724
methyl 3-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride
CID 119679642
1-piperidin-4-yl-N-(4-pyridin-4-yloxyphenyl)triazole-4-carboxamide
CID 119867835
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
methyl 4,5-dimethoxy-2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride
CID 119677753

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-(3-bromo-4-methoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide (CID 119770027) is N-(3-bromo-4-methoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-(3-bromo-4-methoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-(3-bromo-4-methoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide is COc1ccc(NC(=O)c2cn(C3CCNCC3)nn2)cc1Br.
What is the InChIKey of N-(3-bromo-4-methoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is TYDJXZXDOIXHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN5O2/c1-23-14-3-2-10(8-12(14)16)18-15(22)13-9-21(20-19-13)11-4-6-17-7-5-11/h2-3,8-9,11,17H,4-7H2,1H3,(H,18,22).
What are the key properties of N-(3-bromo-4-methoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide?
N-(3-bromo-4-methoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 380.25 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119770027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).