1-[4-[2-(4-methylphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone

C24H28N4O — CID 50982933

IUPAC1-[4-[2-(4-methylphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2nc(CCc3ccccc3)nn2-c2ccc(C)cc2)CC1
InChIInChI=1S/C24H28N4O/c1-18-8-11-22(12-9-18)28-24(21-14-16-27(17-15-21)19(2)29)25-23(26-28)13-10-20-6-4-3-5-7-20/h3-9,11-12,21H,10,13-17H2,1-2H3
InChIKeyIAGVYADQHFRSEO-UHFFFAOYSA-N
MW388.52 g/mol
LogP4.09
Rot. Bonds5

About 1-[4-[2-(4-methylphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone

1-[4-[2-(4-methylphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone (PubChem CID 50982933) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 1-[4-[2-(4-methylphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(4-methylphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone
PubChem CID50982933
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name1-[4-[2-(4-methylphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2nc(CCc3ccccc3)nn2-c2ccc(C)cc2)CC1
InChIInChI=1S/C24H28N4O/c1-18-8-11-22(12-9-18)28-24(21-14-16-27(17-15-21)19(2)29)25-23(26-28)13-10-20-6-4-3-5-7-20/h3-9,11-12,21H,10,13-17H2,1-2H3
InChIKeyIAGVYADQHFRSEO-UHFFFAOYSA-N
XLogP4.09
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[2-(4-methylphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone 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-cyclopropyl-1-(4-propylphenyl)-1,2,4-triazole-3-carboxylic acid
CID 43652371
1-[4-[4-[2-(4-methylphenyl)ethyl]phenyl]piperazin-1-yl]ethanone
CID 59546040
N,N-dimethyl-4-[2-(2-phenylethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]piperidine-1-carboxamide
CID 72848262
7-[5-(2-methoxyethyl)-2-(4-methylphenyl)-1,2,4-triazol-3-yl]-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 167918172
1-(4-benzylpiperidin-1-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethanone
CID 2616037
4-[3-(2-amino-2-oxoethyl)-5-(1-cyclopentylpiperidin-4-yl)-1,2,4-triazol-1-yl]benzoic acid
CID 131910909
2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone
CID 7420600
4-[2-(4-methylphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]pyrrolidin-2-one
CID 72907240
1-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]-2-phenylethanone
CID 113088043
4-[1-[(4-methylphenyl)sulfonylamino]-3-phenylpropyl]piperidine-1-carboxylic acid
CID 175316522
4-cyclopropyl-2-methyl-5-[1-(3-phenylpropanoyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 90540706
(4-tert-butylazepan-1-yl)-(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)methanone
CID 86961357

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-methylphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-(4-methylphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone (CID 50982933) is 1-[4-[2-(4-methylphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-(4-methylphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-(4-methylphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(c2nc(CCc3ccccc3)nn2-c2ccc(C)cc2)CC1.
What is the InChIKey of 1-[4-[2-(4-methylphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone?
The InChIKey is IAGVYADQHFRSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-18-8-11-22(12-9-18)28-24(21-14-16-27(17-15-21)19(2)29)25-23(26-28)13-10-20-6-4-3-5-7-20/h3-9,11-12,21H,10,13-17H2,1-2H3.
What are the key properties of 1-[4-[2-(4-methylphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone?
1-[4-[2-(4-methylphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone has a molecular weight of 388.52 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-methylphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 50982933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).