3-(2-methylpropyl)-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione

C14H20N2O2S — CID 64880154

IUPAC3-(2-methylpropyl)-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione
SMILESCC(C)CC1NC(=O)CN(CCc2cccs2)C1=O
InChIInChI=1S/C14H20N2O2S/c1-10(2)8-12-14(18)16(9-13(17)15-12)6-5-11-4-3-7-19-11/h3-4,7,10,12H,5-6,8-9H2,1-2H3,(H,15,17)
InChIKeyYRGOZWISPYKRFC-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.66
Rot. Bonds5

About 3-(2-methylpropyl)-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione

3-(2-methylpropyl)-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione (PubChem CID 64880154) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 3-(2-methylpropyl)-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-(2-methylpropyl)-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione
PubChem CID64880154
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name3-(2-methylpropyl)-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione
SMILESCC(C)CC1NC(=O)CN(CCc2cccs2)C1=O
InChIInChI=1S/C14H20N2O2S/c1-10(2)8-12-14(18)16(9-13(17)15-12)6-5-11-4-3-7-19-11/h3-4,7,10,12H,5-6,8-9H2,1-2H3,(H,15,17)
InChIKeyYRGOZWISPYKRFC-UHFFFAOYSA-N
XLogP1.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2-methylpropyl)-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione with MolForge

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Related Compounds

7-methyl-3-(2-methylpropyl)-1-(thiophen-2-ylmethyl)-1,4-diazepane-2,5-dione
CID 64882972
3-(2-methylpropyl)-1-(2-phenoxyethyl)piperazine-2,5-dione
CID 64878643
1-[(5-ethylthiophen-2-yl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione
CID 64879023
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-methylpropyl)piperazine-2,5-dione
CID 106422049
1-hexyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64879394
3-(2-methylpropyl)-1-octylpiperazine-2,5-dione
CID 64879391
(7R,9aR)-7-(2-methylpropyl)-2-(thiophen-2-ylmethyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 56858076
1-(3-methyl-2-propan-2-ylbutyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 102908614
1-[(4-iodophenyl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione
CID 65491574
1-(2-cyclohexyloxyethyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64971621
1-[(3-methylphenyl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione
CID 64880159
2-[(4R)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 28581004

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione?
The IUPAC name of 3-(2-methylpropyl)-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione (CID 64880154) is 3-(2-methylpropyl)-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione.
What is the SMILES notation for 3-(2-methylpropyl)-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione?
The canonical SMILES for 3-(2-methylpropyl)-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione is CC(C)CC1NC(=O)CN(CCc2cccs2)C1=O.
What is the InChIKey of 3-(2-methylpropyl)-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione?
The InChIKey is YRGOZWISPYKRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-10(2)8-12-14(18)16(9-13(17)15-12)6-5-11-4-3-7-19-11/h3-4,7,10,12H,5-6,8-9H2,1-2H3,(H,15,17).
What are the key properties of 3-(2-methylpropyl)-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione?
3-(2-methylpropyl)-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione has a molecular weight of 280.39 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione is sourced from PubChem (CID 64880154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).