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

C16H24N2O2S — CID 64965037

IUPAC6-ethyl-3-propyl-1-(1-thiophen-3-ylpropan-2-yl)piperazine-2,5-dione
SMILESCCCC1NC(=O)C(CC)N(C(C)Cc2ccsc2)C1=O
InChIInChI=1S/C16H24N2O2S/c1-4-6-13-16(20)18(14(5-2)15(19)17-13)11(3)9-12-7-8-21-10-12/h7-8,10-11,13-14H,4-6,9H2,1-3H3,(H,17,19)
InChIKeyZFJSIBPHCRWMII-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.58
Rot. Bonds6

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

6-ethyl-3-propyl-1-(1-thiophen-3-ylpropan-2-yl)piperazine-2,5-dione (PubChem CID 64965037) 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-3-ylpropan-2-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-3-propyl-1-(1-thiophen-3-ylpropan-2-yl)piperazine-2,5-dione
PubChem CID64965037
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name6-ethyl-3-propyl-1-(1-thiophen-3-ylpropan-2-yl)piperazine-2,5-dione
SMILESCCCC1NC(=O)C(CC)N(C(C)Cc2ccsc2)C1=O
InChIInChI=1S/C16H24N2O2S/c1-4-6-13-16(20)18(14(5-2)15(19)17-13)11(3)9-12-7-8-21-10-12/h7-8,10-11,13-14H,4-6,9H2,1-3H3,(H,17,19)
InChIKeyZFJSIBPHCRWMII-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-3-ylpropan-2-yl)piperazine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-ethyl-3-propyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione
CID 64873555
6-ethyl-3-propyl-1-(1-thiophen-2-ylpropan-2-yl)piperazine-2,5-dione
CID 64970920
1-(1-ethoxypropan-2-yl)-6-ethyl-3-propylpiperazine-2,5-dione
CID 64967295
6-propan-2-yl-3-propyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione
CID 64873759
6-ethyl-1-(1-phenylethyl)-3-propylpiperazine-2,5-dione
CID 64957677
3-ethyl-6-(2-methylpropyl)-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione
CID 64903189
6-ethyl-1-hex-1-yn-3-yl-3-propylpiperazine-2,5-dione
CID 106224989
1-(4-methoxybutan-2-yl)-3,6-dipropylpiperazine-2,5-dione
CID 116500053
6-ethyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-propylpiperazine-2,5-dione
CID 64970533
6-propan-2-yl-3-propyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione
CID 64963106
3-cyclopropyl-1-(1-thiophen-3-ylpropan-2-yl)piperazine-2,5-dione
CID 64965061
6-ethyl-1-[1-(oxolan-2-yl)ethyl]-3-propylpiperazine-2,5-dione
CID 64960557

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-propyl-1-(1-thiophen-3-ylpropan-2-yl)piperazine-2,5-dione?
The IUPAC name of 6-ethyl-3-propyl-1-(1-thiophen-3-ylpropan-2-yl)piperazine-2,5-dione (CID 64965037) is 6-ethyl-3-propyl-1-(1-thiophen-3-ylpropan-2-yl)piperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-3-propyl-1-(1-thiophen-3-ylpropan-2-yl)piperazine-2,5-dione?
The canonical SMILES for 6-ethyl-3-propyl-1-(1-thiophen-3-ylpropan-2-yl)piperazine-2,5-dione is CCCC1NC(=O)C(CC)N(C(C)Cc2ccsc2)C1=O.
What is the InChIKey of 6-ethyl-3-propyl-1-(1-thiophen-3-ylpropan-2-yl)piperazine-2,5-dione?
The InChIKey is ZFJSIBPHCRWMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-4-6-13-16(20)18(14(5-2)15(19)17-13)11(3)9-12-7-8-21-10-12/h7-8,10-11,13-14H,4-6,9H2,1-3H3,(H,17,19).
What are the key properties of 6-ethyl-3-propyl-1-(1-thiophen-3-ylpropan-2-yl)piperazine-2,5-dione?
6-ethyl-3-propyl-1-(1-thiophen-3-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-3-ylpropan-2-yl)piperazine-2,5-dione is sourced from PubChem (CID 64965037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).