3-ethyl-3,6-dimethyl-1-(1-thiophen-3-ylethyl)piperazine-2,5-dione

C14H20N2O2S — CID 64969649

IUPAC3-ethyl-3,6-dimethyl-1-(1-thiophen-3-ylethyl)piperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(C)N(C(C)c2ccsc2)C1=O
InChIInChI=1S/C14H20N2O2S/c1-5-14(4)13(18)16(10(3)12(17)15-14)9(2)11-6-7-19-8-11/h6-10H,5H2,1-4H3,(H,15,17)
InChIKeyVFXVOZKXLXNQHO-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.32
Rot. Bonds3

About 3-ethyl-3,6-dimethyl-1-(1-thiophen-3-ylethyl)piperazine-2,5-dione

3-ethyl-3,6-dimethyl-1-(1-thiophen-3-ylethyl)piperazine-2,5-dione (PubChem CID 64969649) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 3-ethyl-3,6-dimethyl-1-(1-thiophen-3-ylethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-3,6-dimethyl-1-(1-thiophen-3-ylethyl)piperazine-2,5-dione
PubChem CID64969649
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name3-ethyl-3,6-dimethyl-1-(1-thiophen-3-ylethyl)piperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(C)N(C(C)c2ccsc2)C1=O
InChIInChI=1S/C14H20N2O2S/c1-5-14(4)13(18)16(10(3)12(17)15-14)9(2)11-6-7-19-8-11/h6-10H,5H2,1-4H3,(H,15,17)
InChIKeyVFXVOZKXLXNQHO-UHFFFAOYSA-N
XLogP2.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-diethyl-6-methyl-1-(1-thiophen-3-ylethyl)piperazine-2,5-dione
CID 64969533
3-ethyl-3,6-dimethyl-1-(1-pyridin-4-ylethyl)piperazine-2,5-dione
CID 64963066
1-[1-(2-chlorophenyl)ethyl]-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64965514
3-ethyl-3,6-dimethyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione
CID 64966440
3-butan-2-yl-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one
CID 83239838
3,6-diethyl-3-methyl-1-(1-phenylethyl)piperazine-2,5-dione
CID 64957642
3-ethyl-1-(1-methoxy-3-methylbutan-2-yl)-3,6-dimethylpiperazine-2,5-dione
CID 65053725
3-ethyl-3,6-dimethyl-1-octan-2-ylpiperazine-2,5-dione
CID 64965046
1-(1-cyclopropylbutan-2-yl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64971875
3,3-diethyl-1-(1-thiophen-3-ylethyl)piperazine-2,5-dione
CID 64969673
3-ethyl-3-methyl-6-propan-2-yl-1-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
CID 64973282
3-ethyl-3-methyl-6-(2-methylpropyl)-1-propan-2-ylpiperazine-2,5-dione
CID 64885480

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3,6-dimethyl-1-(1-thiophen-3-ylethyl)piperazine-2,5-dione?
The IUPAC name of 3-ethyl-3,6-dimethyl-1-(1-thiophen-3-ylethyl)piperazine-2,5-dione (CID 64969649) is 3-ethyl-3,6-dimethyl-1-(1-thiophen-3-ylethyl)piperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-3,6-dimethyl-1-(1-thiophen-3-ylethyl)piperazine-2,5-dione?
The canonical SMILES for 3-ethyl-3,6-dimethyl-1-(1-thiophen-3-ylethyl)piperazine-2,5-dione is CCC1(C)NC(=O)C(C)N(C(C)c2ccsc2)C1=O.
What is the InChIKey of 3-ethyl-3,6-dimethyl-1-(1-thiophen-3-ylethyl)piperazine-2,5-dione?
The InChIKey is VFXVOZKXLXNQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-5-14(4)13(18)16(10(3)12(17)15-14)9(2)11-6-7-19-8-11/h6-10H,5H2,1-4H3,(H,15,17).
What are the key properties of 3-ethyl-3,6-dimethyl-1-(1-thiophen-3-ylethyl)piperazine-2,5-dione?
3-ethyl-3,6-dimethyl-1-(1-thiophen-3-ylethyl)piperazine-2,5-dione has a molecular weight of 280.39 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3,6-dimethyl-1-(1-thiophen-3-ylethyl)piperazine-2,5-dione is sourced from PubChem (CID 64969649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).