5-methyl-1-(3-methylphenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]triazole-4-carboxamide

C24H29N5O — CID 55912526

IUPAC5-methyl-1-(3-methylphenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]triazole-4-carboxamide
SMILESCc1cccc(-n2nnc(C(=O)Nc3ccc(CN4CCC(C)CC4)cc3)c2C)c1
InChIInChI=1S/C24H29N5O/c1-17-11-13-28(14-12-17)16-20-7-9-21(10-8-20)25-24(30)23-19(3)29(27-26-23)22-6-4-5-18(2)15-22/h4-10,15,17H,11-14,16H2,1-3H3,(H,25,30)
InChIKeyQEUKPHVVBMMQRT-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.37
Rot. Bonds5

About 5-methyl-1-(3-methylphenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]triazole-4-carboxamide

5-methyl-1-(3-methylphenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]triazole-4-carboxamide (PubChem CID 55912526) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is 5-methyl-1-(3-methylphenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]triazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-(3-methylphenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]triazole-4-carboxamide
PubChem CID55912526
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC Name5-methyl-1-(3-methylphenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]triazole-4-carboxamide
SMILESCc1cccc(-n2nnc(C(=O)Nc3ccc(CN4CCC(C)CC4)cc3)c2C)c1
InChIInChI=1S/C24H29N5O/c1-17-11-13-28(14-12-17)16-20-7-9-21(10-8-20)25-24(30)23-19(3)29(27-26-23)22-6-4-5-18(2)15-22/h4-10,15,17H,11-14,16H2,1-3H3,(H,25,30)
InChIKeyQEUKPHVVBMMQRT-UHFFFAOYSA-N
XLogP4.37
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-1-(3-nitrophenyl)triazole-4-carboxamide
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1-[[4-[[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide
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4-hydroxy-1-(3-methylphenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-6-oxopyridazine-3-carboxamide
CID 108809251
1-(3-chlorophenyl)-5-methyl-N-(4-methylphenyl)triazole-4-carboxamide
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1-(3-bromophenyl)-5-methyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]triazole-4-carboxamide
CID 56556273
5-methyl-1-(3-methylphenyl)-N-(3-methyl-4-pyrrolidin-1-ylphenyl)triazole-4-carboxamide
CID 55886109
N-(4-ethylphenyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 16648407
[5-methyl-1-(3-methylphenyl)triazol-4-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 55857703
1-(3-chlorophenyl)-5-methyl-N-(4-piperidin-1-ylphenyl)triazole-4-carboxamide
CID 60527463
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 56551997
N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]naphthalene-1-carboxamide
CID 108760742
N-[4-[(3-methylphenyl)sulfamoyl]phenyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(3-methylphenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]triazole-4-carboxamide?
The IUPAC name of 5-methyl-1-(3-methylphenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]triazole-4-carboxamide (CID 55912526) is 5-methyl-1-(3-methylphenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]triazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-(3-methylphenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]triazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-(3-methylphenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]triazole-4-carboxamide is Cc1cccc(-n2nnc(C(=O)Nc3ccc(CN4CCC(C)CC4)cc3)c2C)c1.
What is the InChIKey of 5-methyl-1-(3-methylphenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]triazole-4-carboxamide?
The InChIKey is QEUKPHVVBMMQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O/c1-17-11-13-28(14-12-17)16-20-7-9-21(10-8-20)25-24(30)23-19(3)29(27-26-23)22-6-4-5-18(2)15-22/h4-10,15,17H,11-14,16H2,1-3H3,(H,25,30).
What are the key properties of 5-methyl-1-(3-methylphenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]triazole-4-carboxamide?
5-methyl-1-(3-methylphenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]triazole-4-carboxamide has a molecular weight of 403.53 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(3-methylphenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]triazole-4-carboxamide is sourced from PubChem (CID 55912526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).