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

C12H16N2O2S — CID 64882918

IUPAC3-ethyl-3-methyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione
SMILESCCC1(C)NC(=O)CN(Cc2cccs2)C1=O
InChIInChI=1S/C12H16N2O2S/c1-3-12(2)11(16)14(8-10(15)13-12)7-9-5-4-6-17-9/h4-6H,3,7-8H2,1-2H3,(H,13,15)
InChIKeySQDCUEGUYWMLEE-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.38
Rot. Bonds3

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

3-ethyl-3-methyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione (PubChem CID 64882918) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 3-ethyl-3-methyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-3-methyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione
PubChem CID64882918
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name3-ethyl-3-methyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione
SMILESCCC1(C)NC(=O)CN(Cc2cccs2)C1=O
InChIInChI=1S/C12H16N2O2S/c1-3-12(2)11(16)14(8-10(15)13-12)7-9-5-4-6-17-9/h4-6H,3,7-8H2,1-2H3,(H,13,15)
InChIKeySQDCUEGUYWMLEE-UHFFFAOYSA-N
XLogP1.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-3-phenyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione
CID 64881353
3-ethyl-1-[(2-ethylphenyl)methyl]-3-methylpiperazine-2,5-dione
CID 64973584
1-(thiophen-2-ylmethyl)piperazine-2,5-dione
CID 64873649
3-ethyl-3-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperazine-2,5-dione
CID 64970801
1-[(2,5-difluorophenyl)methyl]-3-ethyl-3-methylpiperazine-2,5-dione
CID 64884495
3-ethyl-3-methyl-6-propan-2-yl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione
CID 64903679
6-butan-2-yl-3-ethyl-3-methyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione
CID 64885668
1-[(2-chloro-5-fluorophenyl)methyl]-3-ethyl-3-methylpiperazine-2,5-dione
CID 102620935
3-ethyl-3-methyl-1-(2-phenylsulfanylethyl)piperazine-2,5-dione
CID 79223836
3-ethyl-3-methyl-1-(3-phenylbutyl)piperazine-2,5-dione
CID 64970121
3-ethyl-3-methyl-1-octylpiperazine-2,5-dione
CID 64882721
1-[(5-chlorothiophen-2-yl)methyl]-3-ethyl-3-methyl-1,4-diazepane-2,5-dione
CID 64883460

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 3-ethyl-3-methyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione (CID 64882918) is 3-ethyl-3-methyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-3-methyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 3-ethyl-3-methyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione is CCC1(C)NC(=O)CN(Cc2cccs2)C1=O.
What is the InChIKey of 3-ethyl-3-methyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione?
The InChIKey is SQDCUEGUYWMLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-3-12(2)11(16)14(8-10(15)13-12)7-9-5-4-6-17-9/h4-6H,3,7-8H2,1-2H3,(H,13,15).
What are the key properties of 3-ethyl-3-methyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione?
3-ethyl-3-methyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione has a molecular weight of 252.34 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 64882918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).