3,3-diethyl-6-methyl-1-(1-thiophen-3-ylethyl)piperazine-2,5-dione

C15H22N2O2S — CID 64969533

IUPAC3,3-diethyl-6-methyl-1-(1-thiophen-3-ylethyl)piperazine-2,5-dione
SMILESCCC1(CC)NC(=O)C(C)N(C(C)c2ccsc2)C1=O
InChIInChI=1S/C15H22N2O2S/c1-5-15(6-2)14(19)17(11(4)13(18)16-15)10(3)12-7-8-20-9-12/h7-11H,5-6H2,1-4H3,(H,16,18)
InChIKeyFQEJLYWNCUHSCG-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.71
Rot. Bonds4

About 3,3-diethyl-6-methyl-1-(1-thiophen-3-ylethyl)piperazine-2,5-dione

3,3-diethyl-6-methyl-1-(1-thiophen-3-ylethyl)piperazine-2,5-dione (PubChem CID 64969533) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 3,3-diethyl-6-methyl-1-(1-thiophen-3-ylethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3,3-diethyl-6-methyl-1-(1-thiophen-3-ylethyl)piperazine-2,5-dione
PubChem CID64969533
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name3,3-diethyl-6-methyl-1-(1-thiophen-3-ylethyl)piperazine-2,5-dione
SMILESCCC1(CC)NC(=O)C(C)N(C(C)c2ccsc2)C1=O
InChIInChI=1S/C15H22N2O2S/c1-5-15(6-2)14(19)17(11(4)13(18)16-15)10(3)12-7-8-20-9-12/h7-11H,5-6H2,1-4H3,(H,16,18)
InChIKeyFQEJLYWNCUHSCG-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-3,6-dimethyl-1-(1-thiophen-3-ylethyl)piperazine-2,5-dione
CID 64969649
3,3-diethyl-1-(1-thiophen-3-ylethyl)piperazine-2,5-dione
CID 64969673
3,3-diethyl-1-(3-ethylpentan-2-yl)-6-methylpiperazine-2,5-dione
CID 64971742
1-but-3-yn-2-yl-3,3-diethyl-6-methylpiperazine-2,5-dione
CID 114420520
3,3-diethyl-6-methyl-1-(1-methylsulfonylpropan-2-yl)piperazine-2,5-dione
CID 64973042
3,3-diethyl-6-methyl-1-octan-2-ylpiperazine-2,5-dione
CID 64965106
3-ethyl-3,6-dimethyl-1-(1-pyridin-4-ylethyl)piperazine-2,5-dione
CID 64963066
3,3-diethyl-1-hexan-3-yl-6-propan-2-ylpiperazine-2,5-dione
CID 64968418
4-(2-amino-1-thiophen-3-ylethyl)-3-methylpiperazin-2-one
CID 63595243
3,3-diethyl-6-methyl-1-prop-2-enylpiperazine-2,5-dione
CID 64884818
1-(1-thiophen-3-ylethyl)pyrrolidine-2,3-dione
CID 62841900
1-[1-(2-chlorophenyl)ethyl]-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64965514

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-6-methyl-1-(1-thiophen-3-ylethyl)piperazine-2,5-dione?
The IUPAC name of 3,3-diethyl-6-methyl-1-(1-thiophen-3-ylethyl)piperazine-2,5-dione (CID 64969533) is 3,3-diethyl-6-methyl-1-(1-thiophen-3-ylethyl)piperazine-2,5-dione.
What is the SMILES notation for 3,3-diethyl-6-methyl-1-(1-thiophen-3-ylethyl)piperazine-2,5-dione?
The canonical SMILES for 3,3-diethyl-6-methyl-1-(1-thiophen-3-ylethyl)piperazine-2,5-dione is CCC1(CC)NC(=O)C(C)N(C(C)c2ccsc2)C1=O.
What is the InChIKey of 3,3-diethyl-6-methyl-1-(1-thiophen-3-ylethyl)piperazine-2,5-dione?
The InChIKey is FQEJLYWNCUHSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-5-15(6-2)14(19)17(11(4)13(18)16-15)10(3)12-7-8-20-9-12/h7-11H,5-6H2,1-4H3,(H,16,18).
What are the key properties of 3,3-diethyl-6-methyl-1-(1-thiophen-3-ylethyl)piperazine-2,5-dione?
3,3-diethyl-6-methyl-1-(1-thiophen-3-ylethyl)piperazine-2,5-dione has a molecular weight of 294.42 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-6-methyl-1-(1-thiophen-3-ylethyl)piperazine-2,5-dione is sourced from PubChem (CID 64969533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).