N-(3-bromophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide

C15H18BrN5O — CID 119670376

IUPACN-(3-bromophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cccc(Br)c2)nnn1C1CCNCC1
InChIInChI=1S/C15H18BrN5O/c1-10-14(15(22)18-12-4-2-3-11(16)9-12)19-20-21(10)13-5-7-17-8-6-13/h2-4,9,13,17H,5-8H2,1H3,(H,18,22)
InChIKeyHZVBTGZQBIUFGB-UHFFFAOYSA-N
MW364.25 g/mol
LogP2.53
Rot. Bonds3

About N-(3-bromophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide

N-(3-bromophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119670376) has the molecular formula C15H18BrN5O and a molecular weight of 364.25 g/mol. Its IUPAC name is N-(3-bromophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119670376
Molecular FormulaC15H18BrN5O
Molecular Weight364.25 g/mol
Exact Mass363.07
IUPAC NameN-(3-bromophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cccc(Br)c2)nnn1C1CCNCC1
InChIInChI=1S/C15H18BrN5O/c1-10-14(15(22)18-12-4-2-3-11(16)9-12)19-20-21(10)13-5-7-17-8-6-13/h2-4,9,13,17H,5-8H2,1H3,(H,18,22)
InChIKeyHZVBTGZQBIUFGB-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

5-methyl-N-(3-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670413
N-(3-acetylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119673298
N-[3-(difluoromethyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119767728
N-(5-bromo-2-methylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119705929
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119699613
N-[3-(methoxymethyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119722274
5-methyl-1-piperidin-4-yl-N-(3-propoxyphenyl)triazole-4-carboxamide
CID 119714993
N-(3-fluoro-4-methylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119674362
5-methyl-N-(2-methyl-4-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119832832
N-[3-(difluoromethylsulfonyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119770459
N-(4-fluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670658
N-(3,5-difluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119696872

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-(3-bromophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide (CID 119670376) is N-(3-bromophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide is Cc1c(C(=O)Nc2cccc(Br)c2)nnn1C1CCNCC1.
What is the InChIKey of N-(3-bromophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is HZVBTGZQBIUFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN5O/c1-10-14(15(22)18-12-4-2-3-11(16)9-12)19-20-21(10)13-5-7-17-8-6-13/h2-4,9,13,17H,5-8H2,1H3,(H,18,22).
What are the key properties of N-(3-bromophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
N-(3-bromophenyl)-5-methyl-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-bromophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119670376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).