3-ethyl-3-methyl-6-propan-2-yl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione

C15H22N2O2S — CID 64903679

IUPAC3-ethyl-3-methyl-6-propan-2-yl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(C(C)C)N(Cc2cccs2)C1=O
InChIInChI=1S/C15H22N2O2S/c1-5-15(4)14(19)17(9-11-7-6-8-20-11)12(10(2)3)13(18)16-15/h6-8,10,12H,5,9H2,1-4H3,(H,16,18)
InChIKeyHFBAMQGTUZINJX-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.40
Rot. Bonds4

About 3-ethyl-3-methyl-6-propan-2-yl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione

3-ethyl-3-methyl-6-propan-2-yl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione (PubChem CID 64903679) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 3-ethyl-3-methyl-6-propan-2-yl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-3-methyl-6-propan-2-yl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione
PubChem CID64903679
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name3-ethyl-3-methyl-6-propan-2-yl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(C(C)C)N(Cc2cccs2)C1=O
InChIInChI=1S/C15H22N2O2S/c1-5-15(4)14(19)17(9-11-7-6-8-20-11)12(10(2)3)13(18)16-15/h6-8,10,12H,5,9H2,1-4H3,(H,16,18)
InChIKeyHFBAMQGTUZINJX-UHFFFAOYSA-N
XLogP2.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-3-methyl-6-propan-2-yl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione 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

6-butan-2-yl-3-ethyl-3-methyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione
CID 64885668
3-ethyl-3-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64970930
3-ethyl-3-methyl-6-propan-2-yl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione
CID 64901571
6-propan-2-yl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione
CID 64880056
3-ethyl-3-methyl-6-propyl-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione
CID 64886050
3-ethyl-3-methyl-6-propan-2-yl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
CID 64970290
3-ethyl-3-methyl-1-(3-methylbutyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64901390
1-(2,2-dimethylpropyl)-3-ethyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64964468
3-ethyl-3-methyl-6-propan-2-yl-1-prop-2-ynylpiperazine-2,5-dione
CID 64963630
3-ethyl-3-methyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione
CID 64882918
3-ethyl-3-methyl-1-(5-methylhexyl)-6-propan-2-ylpiperazine-2,5-dione
CID 115327146
1-(cyclohexylmethyl)-3-ethyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64901759

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methyl-6-propan-2-yl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 3-ethyl-3-methyl-6-propan-2-yl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione (CID 64903679) is 3-ethyl-3-methyl-6-propan-2-yl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-3-methyl-6-propan-2-yl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 3-ethyl-3-methyl-6-propan-2-yl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione is CCC1(C)NC(=O)C(C(C)C)N(Cc2cccs2)C1=O.
What is the InChIKey of 3-ethyl-3-methyl-6-propan-2-yl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione?
The InChIKey is HFBAMQGTUZINJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-5-15(4)14(19)17(9-11-7-6-8-20-11)12(10(2)3)13(18)16-15/h6-8,10,12H,5,9H2,1-4H3,(H,16,18).
What are the key properties of 3-ethyl-3-methyl-6-propan-2-yl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione?
3-ethyl-3-methyl-6-propan-2-yl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione has a molecular weight of 294.42 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methyl-6-propan-2-yl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 64903679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).