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

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Related Compounds

3-tert-butyl-1-[2-(furan-2-yl)ethyl]piperazine-2,5-dione
CID 64964726
1-[4-(furan-2-yl)butan-2-yl]-3-methylpiperazine-2,5-dione
CID 64966669
2-[2-(furan-2-yl)ethyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79929494
3-methyl-1-[(5-methylfuran-2-yl)methyl]piperazine-2,5-dione
CID 64969258
1-[2-(2-fluorophenyl)ethyl]-3-methylpiperazine-2,5-dione
CID 64956982
1-[2-(furan-2-yl)ethyl]-3-(propylamino)pyrrolidin-2-one
CID 54973475
1-[4-(furan-2-yl)butan-2-yl]-3-propylpiperazine-2,5-dione
CID 64966621
1-[(2,6-dichlorophenyl)methyl]-3-methylpiperazine-2,5-dione
CID 64881311
1-[(2,3-difluorophenyl)methyl]-3-methylpiperazine-2,5-dione
CID 64880729
1-[2-(furan-2-yl)ethyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64964778
3-ethyl-1-(furan-2-ylmethyl)-1,4-diazepane-2,5-dione
CID 64957599
3-methyl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione
CID 64880984

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).