N-(5-bromo-2-methylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide

C16H20BrN5O — CID 119705929

IUPACN-(5-bromo-2-methylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1ccc(Br)cc1NC(=O)c1nnn(C2CCNCC2)c1C
InChIInChI=1S/C16H20BrN5O/c1-10-3-4-12(17)9-14(10)19-16(23)15-11(2)22(21-20-15)13-5-7-18-8-6-13/h3-4,9,13,18H,5-8H2,1-2H3,(H,19,23)
InChIKeyMDTOUNLVYSGWQN-UHFFFAOYSA-N
MW378.27 g/mol
LogP2.83
Rot. Bonds3

About N-(5-bromo-2-methylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide

N-(5-bromo-2-methylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119705929) has the molecular formula C16H20BrN5O and a molecular weight of 378.27 g/mol. Its IUPAC name is N-(5-bromo-2-methylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-methylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119705929
Molecular FormulaC16H20BrN5O
Molecular Weight378.27 g/mol
Exact Mass377.09
IUPAC NameN-(5-bromo-2-methylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1ccc(Br)cc1NC(=O)c1nnn(C2CCNCC2)c1C
InChIInChI=1S/C16H20BrN5O/c1-10-3-4-12(17)9-14(10)19-16(23)15-11(2)22(21-20-15)13-5-7-18-8-6-13/h3-4,9,13,18H,5-8H2,1-2H3,(H,19,23)
InChIKeyMDTOUNLVYSGWQN-UHFFFAOYSA-N
XLogP2.83
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-bromophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119670376
5-methyl-1-piperidin-4-yl-N-(2,4,5-trifluorophenyl)triazole-4-carboxamide
CID 119708593
N-(3-methoxy-2,4-dimethylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119728769
N-(3-fluoro-4-methylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119674362
5-methyl-N-(3-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670413
N-(2-acetamido-4-chlorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119760851
N-(4-fluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670658
5-methyl-N-(4-methyl-3-nitrophenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670814
N-[5-chloro-2-(cyclopropylamino)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119856720
N-(3,5-difluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119696872
5-methyl-N-(2-methyl-4-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119832832
N-(3-acetylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119673298

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-(5-bromo-2-methylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide (CID 119705929) is N-(5-bromo-2-methylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-(5-bromo-2-methylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-(5-bromo-2-methylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide is Cc1ccc(Br)cc1NC(=O)c1nnn(C2CCNCC2)c1C.
What is the InChIKey of N-(5-bromo-2-methylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is MDTOUNLVYSGWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN5O/c1-10-3-4-12(17)9-14(10)19-16(23)15-11(2)22(21-20-15)13-5-7-18-8-6-13/h3-4,9,13,18H,5-8H2,1-2H3,(H,19,23).
What are the key properties of N-(5-bromo-2-methylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
N-(5-bromo-2-methylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 378.27 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119705929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).