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

C16H24N2O2S — CID 64886050

IUPAC3-ethyl-3-methyl-6-propyl-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione
SMILESCCCC1C(=O)NC(C)(CC)C(=O)N1CCc1cccs1
InChIInChI=1S/C16H24N2O2S/c1-4-7-13-14(19)17-16(3,5-2)15(20)18(13)10-9-12-8-6-11-21-12/h6,8,11,13H,4-5,7,9-10H2,1-3H3,(H,17,19)
InChIKeyHFSQKNUDEDACJG-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.59
Rot. Bonds6

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

3-ethyl-3-methyl-6-propyl-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione (PubChem CID 64886050) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 3-ethyl-3-methyl-6-propyl-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-3-methyl-6-propyl-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione
PubChem CID64886050
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name3-ethyl-3-methyl-6-propyl-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione
SMILESCCCC1C(=O)NC(C)(CC)C(=O)N1CCc1cccs1
InChIInChI=1S/C16H24N2O2S/c1-4-7-13-14(19)17-16(3,5-2)15(20)18(13)10-9-12-8-6-11-21-12/h6,8,11,13H,4-5,7,9-10H2,1-3H3,(H,17,19)
InChIKeyHFSQKNUDEDACJG-UHFFFAOYSA-N
XLogP2.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-(2-methoxyethyl)-3-methyl-6-propylpiperazine-2,5-dione
CID 64886432
3-ethyl-3-methyl-1-(2-methylsulfanylethyl)-6-propylpiperazine-2,5-dione
CID 113474647
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-(cyclobutylmethyl)-3-ethyl-3-methyl-6-propylpiperazine-2,5-dione
CID 65460685
5,5-diethyl-1-(2-thiophen-2-ylethyl)-1,3-diazinane-2,4,6-trione
CID 115945934
3-ethyl-3-methyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione
CID 64882918
3-cyclopropyl-3,7-dimethyl-1-(2-thiophen-2-ylethyl)-1,4-diazepane-2,5-dione
CID 64882835
1-benzyl-3,6-diethyl-3-methylpiperazine-2,5-dione
CID 64887381
3-ethyl-3,6-dimethyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione
CID 64966440
3-ethyl-3-methyl-6-propan-2-yl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
CID 64970290
1-[(5-bromothiophen-2-yl)methyl]-3,6-diethyl-3-methylpiperazine-2,5-dione
CID 64886811

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methyl-6-propyl-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione?
The IUPAC name of 3-ethyl-3-methyl-6-propyl-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione (CID 64886050) is 3-ethyl-3-methyl-6-propyl-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-3-methyl-6-propyl-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione?
The canonical SMILES for 3-ethyl-3-methyl-6-propyl-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione is CCCC1C(=O)NC(C)(CC)C(=O)N1CCc1cccs1.
What is the InChIKey of 3-ethyl-3-methyl-6-propyl-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione?
The InChIKey is HFSQKNUDEDACJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-4-7-13-14(19)17-16(3,5-2)15(20)18(13)10-9-12-8-6-11-21-12/h6,8,11,13H,4-5,7,9-10H2,1-3H3,(H,17,19).
What are the key properties of 3-ethyl-3-methyl-6-propyl-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione?
3-ethyl-3-methyl-6-propyl-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione has a molecular weight of 308.45 g/mol, XLogP of 2.59, 6 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-propyl-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione is sourced from PubChem (CID 64886050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).