1-[2-(furan-2-yl)ethyl]-3-methylpiperazine-2,5-dione

C11H14N2O3 — CID 64964752

IUPAC1-[2-(furan-2-yl)ethyl]-3-methylpiperazine-2,5-dione
SMILESCC1NC(=O)CN(CCc2ccco2)C1=O
InChIInChI=1S/C11H14N2O3/c1-8-11(15)13(7-10(14)12-8)5-4-9-3-2-6-16-9/h2-3,6,8H,4-5,7H2,1H3,(H,12,14)
InChIKeyQPRSTNZDBABWRY-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.17
Rot. Bonds3

About 1-[2-(furan-2-yl)ethyl]-3-methylpiperazine-2,5-dione

1-[2-(furan-2-yl)ethyl]-3-methylpiperazine-2,5-dione (PubChem CID 64964752) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)ethyl]-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[2-(furan-2-yl)ethyl]-3-methylpiperazine-2,5-dione
PubChem CID64964752
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name1-[2-(furan-2-yl)ethyl]-3-methylpiperazine-2,5-dione
SMILESCC1NC(=O)CN(CCc2ccco2)C1=O
InChIInChI=1S/C11H14N2O3/c1-8-11(15)13(7-10(14)12-8)5-4-9-3-2-6-16-9/h2-3,6,8H,4-5,7H2,1H3,(H,12,14)
InChIKeyQPRSTNZDBABWRY-UHFFFAOYSA-N
XLogP0.17
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(furan-2-yl)ethyl]-3-methylpiperazine-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

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)ethyl]-3-methylpiperazine-2,5-dione?
The IUPAC name of 1-[2-(furan-2-yl)ethyl]-3-methylpiperazine-2,5-dione (CID 64964752) is 1-[2-(furan-2-yl)ethyl]-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-[2-(furan-2-yl)ethyl]-3-methylpiperazine-2,5-dione?
The canonical SMILES for 1-[2-(furan-2-yl)ethyl]-3-methylpiperazine-2,5-dione is CC1NC(=O)CN(CCc2ccco2)C1=O.
What is the InChIKey of 1-[2-(furan-2-yl)ethyl]-3-methylpiperazine-2,5-dione?
The InChIKey is QPRSTNZDBABWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-8-11(15)13(7-10(14)12-8)5-4-9-3-2-6-16-9/h2-3,6,8H,4-5,7H2,1H3,(H,12,14).
What are the key properties of 1-[2-(furan-2-yl)ethyl]-3-methylpiperazine-2,5-dione?
1-[2-(furan-2-yl)ethyl]-3-methylpiperazine-2,5-dione has a molecular weight of 222.24 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)ethyl]-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 64964752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).