1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3,6-diethylpiperazine-2,5-dione

C16H24N2O2S — CID 64965646

IUPAC1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3,6-diethylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(CC)N(C(C)c2cc(C)sc2C)C1=O
InChIInChI=1S/C16H24N2O2S/c1-6-13-16(20)18(14(7-2)15(19)17-13)10(4)12-8-9(3)21-11(12)5/h8,10,13-14H,6-7H2,1-5H3,(H,17,19)
InChIKeyOPDGMGGDCYFUOB-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.94
Rot. Bonds4

About 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3,6-diethylpiperazine-2,5-dione

1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3,6-diethylpiperazine-2,5-dione (PubChem CID 64965646) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3,6-diethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3,6-diethylpiperazine-2,5-dione
PubChem CID64965646
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3,6-diethylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(CC)N(C(C)c2cc(C)sc2C)C1=O
InChIInChI=1S/C16H24N2O2S/c1-6-13-16(20)18(14(7-2)15(19)17-13)10(4)12-8-9(3)21-11(12)5/h8,10,13-14H,6-7H2,1-5H3,(H,17,19)
InChIKeyOPDGMGGDCYFUOB-UHFFFAOYSA-N
XLogP2.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3,6-diethylpiperazine-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

1-[1-(4-bromophenyl)ethyl]-3,6-diethylpiperazine-2,5-dione
CID 64965367
6-ethyl-1-(1-phenylethyl)-3-propylpiperazine-2,5-dione
CID 64957677
6-ethyl-1-(2-methylpentan-3-yl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64964823
3-ethyl-1-(3-methylbutan-2-yl)-6-propan-2-ylpiperazine-2,5-dione
CID 64959747
1-[(4,5-dimethylthiophen-2-yl)methyl]-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 65244955
1-but-3-ynyl-3,6-diethylpiperazine-2,5-dione
CID 64972522
3-cyclopropyl-6-ethyl-1-[1-(5-methylfuran-2-yl)ethyl]piperazine-2,5-dione
CID 64965675
3,6-diethyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-2,5-dione
CID 64966389
1-butan-2-yl-3-cyclopropyl-6-ethylpiperazine-2,5-dione
CID 64957501
1,3-diethyl-6-(2-methylpropyl)piperazine-2,5-dione
CID 64902229
1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-ethyl-2-propan-2-ylpiperazine
CID 64948573
3-tert-butyl-6-ethyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione
CID 64963081

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3,6-diethylpiperazine-2,5-dione?
The IUPAC name of 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3,6-diethylpiperazine-2,5-dione (CID 64965646) is 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3,6-diethylpiperazine-2,5-dione.
What is the SMILES notation for 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3,6-diethylpiperazine-2,5-dione?
The canonical SMILES for 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3,6-diethylpiperazine-2,5-dione is CCC1NC(=O)C(CC)N(C(C)c2cc(C)sc2C)C1=O.
What is the InChIKey of 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3,6-diethylpiperazine-2,5-dione?
The InChIKey is OPDGMGGDCYFUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-6-13-16(20)18(14(7-2)15(19)17-13)10(4)12-8-9(3)21-11(12)5/h8,10,13-14H,6-7H2,1-5H3,(H,17,19).
What are the key properties of 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3,6-diethylpiperazine-2,5-dione?
1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3,6-diethylpiperazine-2,5-dione has a molecular weight of 308.45 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3,6-diethylpiperazine-2,5-dione is sourced from PubChem (CID 64965646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).