thiophen-2-yl-[4-(2,4,5-trimethylbenzoyl)piperazin-1-yl]methanone

C19H22N2O2S — CID 29023726

IUPACthiophen-2-yl-[4-(2,4,5-trimethylbenzoyl)piperazin-1-yl]methanone
SMILESCc1cc(C)c(C(=O)N2CCN(C(=O)c3cccs3)CC2)cc1C
InChIInChI=1S/C19H22N2O2S/c1-13-11-15(3)16(12-14(13)2)18(22)20-6-8-21(9-7-20)19(23)17-5-4-10-24-17/h4-5,10-12H,6-9H2,1-3H3
InChIKeyRCUQCXWKTMGCMD-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.27
Rot. Bonds2

About thiophen-2-yl-[4-(2,4,5-trimethylbenzoyl)piperazin-1-yl]methanone

thiophen-2-yl-[4-(2,4,5-trimethylbenzoyl)piperazin-1-yl]methanone (PubChem CID 29023726) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is thiophen-2-yl-[4-(2,4,5-trimethylbenzoyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namethiophen-2-yl-[4-(2,4,5-trimethylbenzoyl)piperazin-1-yl]methanone
PubChem CID29023726
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Namethiophen-2-yl-[4-(2,4,5-trimethylbenzoyl)piperazin-1-yl]methanone
SMILESCc1cc(C)c(C(=O)N2CCN(C(=O)c3cccs3)CC2)cc1C
InChIInChI=1S/C19H22N2O2S/c1-13-11-15(3)16(12-14(13)2)18(22)20-6-8-21(9-7-20)19(23)17-5-4-10-24-17/h4-5,10-12H,6-9H2,1-3H3
InChIKeyRCUQCXWKTMGCMD-UHFFFAOYSA-N
XLogP3.27
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze thiophen-2-yl-[4-(2,4,5-trimethylbenzoyl)piperazin-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

[4-(4-ethoxy-2,5-dimethylbenzoyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 110801945
(2-methylphenyl)-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110798106
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
[(2R)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate
CID 8697957
(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
CID 142296627
(4-aminopiperazin-1-yl)-thiophen-2-ylmethanone
CID 19791267
(2,4-dimethylphenyl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 31826968
N-methyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
CID 47127631
[4-(5-ethyl-2-methoxybenzoyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 110801953
(2-bromofuran-3-yl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 106852804
(4-methoxyphenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 717242
(2,3-dichlorophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 18115100

Frequently Asked Questions

What is the IUPAC name of thiophen-2-yl-[4-(2,4,5-trimethylbenzoyl)piperazin-1-yl]methanone?
The IUPAC name of thiophen-2-yl-[4-(2,4,5-trimethylbenzoyl)piperazin-1-yl]methanone (CID 29023726) is thiophen-2-yl-[4-(2,4,5-trimethylbenzoyl)piperazin-1-yl]methanone.
What is the SMILES notation for thiophen-2-yl-[4-(2,4,5-trimethylbenzoyl)piperazin-1-yl]methanone?
The canonical SMILES for thiophen-2-yl-[4-(2,4,5-trimethylbenzoyl)piperazin-1-yl]methanone is Cc1cc(C)c(C(=O)N2CCN(C(=O)c3cccs3)CC2)cc1C.
What is the InChIKey of thiophen-2-yl-[4-(2,4,5-trimethylbenzoyl)piperazin-1-yl]methanone?
The InChIKey is RCUQCXWKTMGCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-13-11-15(3)16(12-14(13)2)18(22)20-6-8-21(9-7-20)19(23)17-5-4-10-24-17/h4-5,10-12H,6-9H2,1-3H3.
What are the key properties of thiophen-2-yl-[4-(2,4,5-trimethylbenzoyl)piperazin-1-yl]methanone?
thiophen-2-yl-[4-(2,4,5-trimethylbenzoyl)piperazin-1-yl]methanone has a molecular weight of 342.46 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-2-yl-[4-(2,4,5-trimethylbenzoyl)piperazin-1-yl]methanone is sourced from PubChem (CID 29023726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).