3,3-diethyl-1-(1-thiophen-3-ylethyl)piperazine-2,5-dione

C14H20N2O2S — CID 64969673

IUPAC3,3-diethyl-1-(1-thiophen-3-ylethyl)piperazine-2,5-dione
SMILESCCC1(CC)NC(=O)CN(C(C)c2ccsc2)C1=O
InChIInChI=1S/C14H20N2O2S/c1-4-14(5-2)13(18)16(8-12(17)15-14)10(3)11-6-7-19-9-11/h6-7,9-10H,4-5,8H2,1-3H3,(H,15,17)
InChIKeyRNSMXGKSXUIVAN-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.33
Rot. Bonds4

About 3,3-diethyl-1-(1-thiophen-3-ylethyl)piperazine-2,5-dione

3,3-diethyl-1-(1-thiophen-3-ylethyl)piperazine-2,5-dione (PubChem CID 64969673) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 3,3-diethyl-1-(1-thiophen-3-ylethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3,3-diethyl-1-(1-thiophen-3-ylethyl)piperazine-2,5-dione
PubChem CID64969673
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name3,3-diethyl-1-(1-thiophen-3-ylethyl)piperazine-2,5-dione
SMILESCCC1(CC)NC(=O)CN(C(C)c2ccsc2)C1=O
InChIInChI=1S/C14H20N2O2S/c1-4-14(5-2)13(18)16(8-12(17)15-14)10(3)11-6-7-19-9-11/h6-7,9-10H,4-5,8H2,1-3H3,(H,15,17)
InChIKeyRNSMXGKSXUIVAN-UHFFFAOYSA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,3-diethyl-1-(1-thiophen-3-ylethyl)piperazine-2,5-dione with MolForge

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Related Compounds

9-(1-thiophen-3-ylethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64969579
3,3-diethyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione
CID 64963721
3,3-diethyl-1-(3-methylbutan-2-yl)piperazine-2,5-dione
CID 64959698
3,3-diethyl-6-methyl-1-(1-thiophen-3-ylethyl)piperazine-2,5-dione
CID 64969533
1-(1-thiophen-3-ylethyl)pyrrolidine-2,3-dione
CID 62841900
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3,3-diethylpiperazine-2,5-dione
CID 64965915
3,3-diethyl-1-[1-(1,3-thiazol-2-yl)propyl]piperazine-2,5-dione
CID 64972721
3-ethyl-3-methyl-1-[1-(4-methylphenyl)ethyl]piperazine-2,5-dione
CID 64966760
3-ethyl-3,6-dimethyl-1-(1-thiophen-3-ylethyl)piperazine-2,5-dione
CID 64969649
3,3-diethyl-1-(2-thiophen-3-ylethyl)-1,4-diazepane-2,5-dione
CID 64883852
3,3-diethyl-1-(1-thiophen-3-ylethyl)piperazine
CID 64954383
3-ethyl-3-methyl-1-(1-thiophen-3-ylethyl)piperazine
CID 64953980

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1-(1-thiophen-3-ylethyl)piperazine-2,5-dione?
The IUPAC name of 3,3-diethyl-1-(1-thiophen-3-ylethyl)piperazine-2,5-dione (CID 64969673) is 3,3-diethyl-1-(1-thiophen-3-ylethyl)piperazine-2,5-dione.
What is the SMILES notation for 3,3-diethyl-1-(1-thiophen-3-ylethyl)piperazine-2,5-dione?
The canonical SMILES for 3,3-diethyl-1-(1-thiophen-3-ylethyl)piperazine-2,5-dione is CCC1(CC)NC(=O)CN(C(C)c2ccsc2)C1=O.
What is the InChIKey of 3,3-diethyl-1-(1-thiophen-3-ylethyl)piperazine-2,5-dione?
The InChIKey is RNSMXGKSXUIVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-4-14(5-2)13(18)16(8-12(17)15-14)10(3)11-6-7-19-9-11/h6-7,9-10H,4-5,8H2,1-3H3,(H,15,17).
What are the key properties of 3,3-diethyl-1-(1-thiophen-3-ylethyl)piperazine-2,5-dione?
3,3-diethyl-1-(1-thiophen-3-ylethyl)piperazine-2,5-dione has a molecular weight of 280.39 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1-(1-thiophen-3-ylethyl)piperazine-2,5-dione is sourced from PubChem (CID 64969673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).