2-(2,4-dimethylphenyl)-5-methyl-N-[(2R)-2-[(3S)-3-methylpiperidin-1-yl]propyl]triazole-4-carboxamide

C21H31N5O — CID 52610608

IUPAC2-(2,4-dimethylphenyl)-5-methyl-N-[(2R)-2-[(3S)-3-methylpiperidin-1-yl]propyl]triazole-4-carboxamide
SMILESCc1ccc(-n2nc(C)c(C(=O)NC[C@@H](C)N3CCC[C@H](C)C3)n2)c(C)c1
InChIInChI=1S/C21H31N5O/c1-14-8-9-19(16(3)11-14)26-23-18(5)20(24-26)21(27)22-12-17(4)25-10-6-7-15(2)13-25/h8-9,11,15,17H,6-7,10,12-13H2,1-5H3,(H,22,27)/t15-,17+/m0/s1
InChIKeyCHJUAWKHHBHHLI-DOTOQJQBSA-N
MW369.51 g/mol
LogP3.04
Rot. Bonds5

About 2-(2,4-dimethylphenyl)-5-methyl-N-[(2R)-2-[(3S)-3-methylpiperidin-1-yl]propyl]triazole-4-carboxamide

2-(2,4-dimethylphenyl)-5-methyl-N-[(2R)-2-[(3S)-3-methylpiperidin-1-yl]propyl]triazole-4-carboxamide (PubChem CID 52610608) has the molecular formula C21H31N5O and a molecular weight of 369.51 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-5-methyl-N-[(2R)-2-[(3S)-3-methylpiperidin-1-yl]propyl]triazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-5-methyl-N-[(2R)-2-[(3S)-3-methylpiperidin-1-yl]propyl]triazole-4-carboxamide
PubChem CID52610608
Molecular FormulaC21H31N5O
Molecular Weight369.51 g/mol
Exact Mass369.25
IUPAC Name2-(2,4-dimethylphenyl)-5-methyl-N-[(2R)-2-[(3S)-3-methylpiperidin-1-yl]propyl]triazole-4-carboxamide
SMILESCc1ccc(-n2nc(C)c(C(=O)NC[C@@H](C)N3CCC[C@H](C)C3)n2)c(C)c1
InChIInChI=1S/C21H31N5O/c1-14-8-9-19(16(3)11-14)26-23-18(5)20(24-26)21(27)22-12-17(4)25-10-6-7-15(2)13-25/h8-9,11,15,17H,6-7,10,12-13H2,1-5H3,(H,22,27)/t15-,17+/m0/s1
InChIKeyCHJUAWKHHBHHLI-DOTOQJQBSA-N
XLogP3.04
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2,4-dimethylphenyl)-5-methyl-N-[(2R)-2-[(3S)-3-methylpiperidin-1-yl]propyl]triazole-4-carboxamide with MolForge

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Related Compounds

2-bromo-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide
CID 47036181
2-amino-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide;dihydrochloride
CID 119946563
2-chloro-4-fluoro-N-[(2R)-2-[(3S)-3-methylpiperidin-1-yl]propyl]benzamide
CID 98720791
2-chloro-4-fluoro-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide
CID 47036175
3-amino-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide
CID 119850765
3-amino-2-methyl-N-[2-(3-methylpiperidin-1-yl)propyl]-3-phenylpropanamide
CID 119850745
N-[(2R)-2-[(3R)-3-methylpiperidin-1-yl]propyl]pyrazine-2-carboxamide
CID 98720786
[2-oxo-2-(propan-2-ylamino)ethyl] 2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxylate
CID 8980921
4-bromo-3,5-dimethoxy-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide
CID 55717834
2-(2,4-dimethylphenyl)-5-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]triazole-4-carboxamide
CID 55647317
3-(methoxymethyl)-N-[(2R)-2-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide
CID 100850955
N-(4-cyclopentylsulfonylphenyl)-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 46547800

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-5-methyl-N-[(2R)-2-[(3S)-3-methylpiperidin-1-yl]propyl]triazole-4-carboxamide?
The IUPAC name of 2-(2,4-dimethylphenyl)-5-methyl-N-[(2R)-2-[(3S)-3-methylpiperidin-1-yl]propyl]triazole-4-carboxamide (CID 52610608) is 2-(2,4-dimethylphenyl)-5-methyl-N-[(2R)-2-[(3S)-3-methylpiperidin-1-yl]propyl]triazole-4-carboxamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-5-methyl-N-[(2R)-2-[(3S)-3-methylpiperidin-1-yl]propyl]triazole-4-carboxamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)-5-methyl-N-[(2R)-2-[(3S)-3-methylpiperidin-1-yl]propyl]triazole-4-carboxamide is Cc1ccc(-n2nc(C)c(C(=O)NC[C@@H](C)N3CCC[C@H](C)C3)n2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-5-methyl-N-[(2R)-2-[(3S)-3-methylpiperidin-1-yl]propyl]triazole-4-carboxamide?
The InChIKey is CHJUAWKHHBHHLI-DOTOQJQBSA-N. The full InChI is InChI=1S/C21H31N5O/c1-14-8-9-19(16(3)11-14)26-23-18(5)20(24-26)21(27)22-12-17(4)25-10-6-7-15(2)13-25/h8-9,11,15,17H,6-7,10,12-13H2,1-5H3,(H,22,27)/t15-,17+/m0/s1.
What are the key properties of 2-(2,4-dimethylphenyl)-5-methyl-N-[(2R)-2-[(3S)-3-methylpiperidin-1-yl]propyl]triazole-4-carboxamide?
2-(2,4-dimethylphenyl)-5-methyl-N-[(2R)-2-[(3S)-3-methylpiperidin-1-yl]propyl]triazole-4-carboxamide has a molecular weight of 369.51 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-5-methyl-N-[(2R)-2-[(3S)-3-methylpiperidin-1-yl]propyl]triazole-4-carboxamide is sourced from PubChem (CID 52610608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).