[5-methyl-2-(4-methylphenyl)triazol-4-yl]-[(2S)-2-methylpiperidin-1-yl]methanone

C17H22N4O — CID 94862004

IUPAC[5-methyl-2-(4-methylphenyl)triazol-4-yl]-[(2S)-2-methylpiperidin-1-yl]methanone
SMILESCc1ccc(-n2nc(C)c(C(=O)N3CCCC[C@@H]3C)n2)cc1
InChIInChI=1S/C17H22N4O/c1-12-7-9-15(10-8-12)21-18-14(3)16(19-21)17(22)20-11-5-4-6-13(20)2/h7-10,13H,4-6,11H2,1-3H3/t13-/m0/s1
InChIKeyLWVZRPREQFUXLM-ZDUSSCGKSA-N
MW298.39 g/mol
LogP2.90
Rot. Bonds2

About [5-methyl-2-(4-methylphenyl)triazol-4-yl]-[(2S)-2-methylpiperidin-1-yl]methanone

[5-methyl-2-(4-methylphenyl)triazol-4-yl]-[(2S)-2-methylpiperidin-1-yl]methanone (PubChem CID 94862004) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is [5-methyl-2-(4-methylphenyl)triazol-4-yl]-[(2S)-2-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-methyl-2-(4-methylphenyl)triazol-4-yl]-[(2S)-2-methylpiperidin-1-yl]methanone
PubChem CID94862004
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name[5-methyl-2-(4-methylphenyl)triazol-4-yl]-[(2S)-2-methylpiperidin-1-yl]methanone
SMILESCc1ccc(-n2nc(C)c(C(=O)N3CCCC[C@@H]3C)n2)cc1
InChIInChI=1S/C17H22N4O/c1-12-7-9-15(10-8-12)21-18-14(3)16(19-21)17(22)20-11-5-4-6-13(20)2/h7-10,13H,4-6,11H2,1-3H3/t13-/m0/s1
InChIKeyLWVZRPREQFUXLM-ZDUSSCGKSA-N
XLogP2.90
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [5-methyl-2-(4-methylphenyl)triazol-4-yl]-[(2S)-2-methylpiperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-methyl-2-phenyltriazol-4-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95307308
2-(4-methylphenyl)-6-(2-methylpiperidine-1-carbonyl)-4,5-dihydropyridazin-3-one
CID 5152065
(5-methyl-2-phenyltriazol-4-yl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone
CID 42922929
(4-methylphenyl)-[2-(2-methylpiperidine-1-carbonyl)phenyl]methanone
CID 112811380
(2-methylpiperidin-1-yl)-[4-methyl-2-(triazol-2-yl)phenyl]methanone
CID 134503257
[2-(4-fluorophenyl)tetrazol-5-yl]-[(2S)-2-methylpiperidin-1-yl]methanone
CID 95985448
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxylate
CID 8980991
(2,6-dimethyl-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 128939743
2-(4-methylphenyl)-5-[(2S)-2-methylpiperidine-1-carbonyl]isoindole-1,3-dione
CID 19132996
[2-(aminomethyl)-3-methylpiperidin-1-yl]-[2-[4-(2-methoxyethoxy)phenyl]-5-methyltriazol-4-yl]methanone
CID 122147772
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-(5-methyl-2-phenyltriazol-4-yl)methanone
CID 56821404
(5-methyl-2-phenyltriazol-4-yl)-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95324237

Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-(4-methylphenyl)triazol-4-yl]-[(2S)-2-methylpiperidin-1-yl]methanone?
The IUPAC name of [5-methyl-2-(4-methylphenyl)triazol-4-yl]-[(2S)-2-methylpiperidin-1-yl]methanone (CID 94862004) is [5-methyl-2-(4-methylphenyl)triazol-4-yl]-[(2S)-2-methylpiperidin-1-yl]methanone.
What is the SMILES notation for [5-methyl-2-(4-methylphenyl)triazol-4-yl]-[(2S)-2-methylpiperidin-1-yl]methanone?
The canonical SMILES for [5-methyl-2-(4-methylphenyl)triazol-4-yl]-[(2S)-2-methylpiperidin-1-yl]methanone is Cc1ccc(-n2nc(C)c(C(=O)N3CCCC[C@@H]3C)n2)cc1.
What is the InChIKey of [5-methyl-2-(4-methylphenyl)triazol-4-yl]-[(2S)-2-methylpiperidin-1-yl]methanone?
The InChIKey is LWVZRPREQFUXLM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H22N4O/c1-12-7-9-15(10-8-12)21-18-14(3)16(19-21)17(22)20-11-5-4-6-13(20)2/h7-10,13H,4-6,11H2,1-3H3/t13-/m0/s1.
What are the key properties of [5-methyl-2-(4-methylphenyl)triazol-4-yl]-[(2S)-2-methylpiperidin-1-yl]methanone?
[5-methyl-2-(4-methylphenyl)triazol-4-yl]-[(2S)-2-methylpiperidin-1-yl]methanone has a molecular weight of 298.39 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-(4-methylphenyl)triazol-4-yl]-[(2S)-2-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 94862004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).