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

C13H16N2O2S — CID 64879439

IUPAC3-cyclopropyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione
SMILESO=C1CN(CCc2ccsc2)C(=O)C(C2CC2)N1
InChIInChI=1S/C13H16N2O2S/c16-11-7-15(5-3-9-4-6-18-8-9)13(17)12(14-11)10-1-2-10/h4,6,8,10,12H,1-3,5,7H2,(H,14,16)
InChIKeyZWTIKFOLUWQGAU-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.03
Rot. Bonds4

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

3-cyclopropyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione (PubChem CID 64879439) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 3-cyclopropyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione
PubChem CID64879439
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name3-cyclopropyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione
SMILESO=C1CN(CCc2ccsc2)C(=O)C(C2CC2)N1
InChIInChI=1S/C13H16N2O2S/c16-11-7-15(5-3-9-4-6-18-8-9)13(17)12(14-11)10-1-2-10/h4,6,8,10,12H,1-3,5,7H2,(H,14,16)
InChIKeyZWTIKFOLUWQGAU-UHFFFAOYSA-N
XLogP1.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione (CID 64879439) is 3-cyclopropyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione is O=C1CN(CCc2ccsc2)C(=O)C(C2CC2)N1.
What is the InChIKey of 3-cyclopropyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione?
The InChIKey is ZWTIKFOLUWQGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c16-11-7-15(5-3-9-4-6-18-8-9)13(17)12(14-11)10-1-2-10/h4,6,8,10,12H,1-3,5,7H2,(H,14,16).
What are the key properties of 3-cyclopropyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione?
3-cyclopropyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione has a molecular weight of 264.35 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione is sourced from PubChem (CID 64879439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).