6-ethyl-3-propyl-1-(1-thiophen-2-ylpropan-2-yl)piperazine-2,5-dione

C16H24N2O2S — CID 64970920

IUPAC6-ethyl-3-propyl-1-(1-thiophen-2-ylpropan-2-yl)piperazine-2,5-dione
SMILESCCCC1NC(=O)C(CC)N(C(C)Cc2cccs2)C1=O
InChIInChI=1S/C16H24N2O2S/c1-4-7-13-16(20)18(14(5-2)15(19)17-13)11(3)10-12-8-6-9-21-12/h6,8-9,11,13-14H,4-5,7,10H2,1-3H3,(H,17,19)
InChIKeyUBNVZNXBWWNOOA-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.58
Rot. Bonds6

About 6-ethyl-3-propyl-1-(1-thiophen-2-ylpropan-2-yl)piperazine-2,5-dione

6-ethyl-3-propyl-1-(1-thiophen-2-ylpropan-2-yl)piperazine-2,5-dione (PubChem CID 64970920) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 6-ethyl-3-propyl-1-(1-thiophen-2-ylpropan-2-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-3-propyl-1-(1-thiophen-2-ylpropan-2-yl)piperazine-2,5-dione
PubChem CID64970920
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name6-ethyl-3-propyl-1-(1-thiophen-2-ylpropan-2-yl)piperazine-2,5-dione
SMILESCCCC1NC(=O)C(CC)N(C(C)Cc2cccs2)C1=O
InChIInChI=1S/C16H24N2O2S/c1-4-7-13-16(20)18(14(5-2)15(19)17-13)11(3)10-12-8-6-9-21-12/h6,8-9,11,13-14H,4-5,7,10H2,1-3H3,(H,17,19)
InChIKeyUBNVZNXBWWNOOA-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-ethyl-3-propyl-1-(1-thiophen-2-ylpropan-2-yl)piperazine-2,5-dione with MolForge

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Related Compounds

6-ethyl-3-propyl-1-(1-thiophen-3-ylpropan-2-yl)piperazine-2,5-dione
CID 64965037
6-ethyl-1-(1-phenylethyl)-3-propylpiperazine-2,5-dione
CID 64957677
1-(1-ethoxypropan-2-yl)-6-ethyl-3-propylpiperazine-2,5-dione
CID 64967295
6-propan-2-yl-3-propyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione
CID 64963106
6-methyl-3-propyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione
CID 64966334
1-[1-(furan-2-yl)propan-2-yl]-6-methyl-3-propylpiperazine-2,5-dione
CID 64964702
6-ethyl-1-[1-(oxolan-2-yl)ethyl]-3-propylpiperazine-2,5-dione
CID 64960557
1-(4-methoxybutan-2-yl)-3,6-dipropylpiperazine-2,5-dione
CID 116500053
3-butan-2-yl-5-propyl-2-thiophen-2-ylimidazolidin-4-one
CID 83240108
6-ethyl-3-propyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione
CID 64873555
6,6-dimethyl-3-propyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione
CID 64872787
6-ethyl-3-methyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione
CID 64966333

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-propyl-1-(1-thiophen-2-ylpropan-2-yl)piperazine-2,5-dione?
The IUPAC name of 6-ethyl-3-propyl-1-(1-thiophen-2-ylpropan-2-yl)piperazine-2,5-dione (CID 64970920) is 6-ethyl-3-propyl-1-(1-thiophen-2-ylpropan-2-yl)piperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-3-propyl-1-(1-thiophen-2-ylpropan-2-yl)piperazine-2,5-dione?
The canonical SMILES for 6-ethyl-3-propyl-1-(1-thiophen-2-ylpropan-2-yl)piperazine-2,5-dione is CCCC1NC(=O)C(CC)N(C(C)Cc2cccs2)C1=O.
What is the InChIKey of 6-ethyl-3-propyl-1-(1-thiophen-2-ylpropan-2-yl)piperazine-2,5-dione?
The InChIKey is UBNVZNXBWWNOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-4-7-13-16(20)18(14(5-2)15(19)17-13)11(3)10-12-8-6-9-21-12/h6,8-9,11,13-14H,4-5,7,10H2,1-3H3,(H,17,19).
What are the key properties of 6-ethyl-3-propyl-1-(1-thiophen-2-ylpropan-2-yl)piperazine-2,5-dione?
6-ethyl-3-propyl-1-(1-thiophen-2-ylpropan-2-yl)piperazine-2,5-dione has a molecular weight of 308.45 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-propyl-1-(1-thiophen-2-ylpropan-2-yl)piperazine-2,5-dione is sourced from PubChem (CID 64970920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).