4-[1-(furan-2-yl)propan-2-yl]piperazine-2,6-dione

C11H14N2O3 — CID 63789266

IUPAC4-[1-(furan-2-yl)propan-2-yl]piperazine-2,6-dione
SMILESCC(Cc1ccco1)N1CC(=O)NC(=O)C1
InChIInChI=1S/C11H14N2O3/c1-8(5-9-3-2-4-16-9)13-6-10(14)12-11(15)7-13/h2-4,8H,5-7H2,1H3,(H,12,14,15)
InChIKeyOPGLKIJRFBZIDV-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.17
Rot. Bonds3

About 4-[1-(furan-2-yl)propan-2-yl]piperazine-2,6-dione

4-[1-(furan-2-yl)propan-2-yl]piperazine-2,6-dione (PubChem CID 63789266) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 4-[1-(furan-2-yl)propan-2-yl]piperazine-2,6-dione.

Molecular Properties

Compound Name4-[1-(furan-2-yl)propan-2-yl]piperazine-2,6-dione
PubChem CID63789266
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name4-[1-(furan-2-yl)propan-2-yl]piperazine-2,6-dione
SMILESCC(Cc1ccco1)N1CC(=O)NC(=O)C1
InChIInChI=1S/C11H14N2O3/c1-8(5-9-3-2-4-16-9)13-6-10(14)12-11(15)7-13/h2-4,8H,5-7H2,1H3,(H,12,14,15)
InChIKeyOPGLKIJRFBZIDV-UHFFFAOYSA-N
XLogP0.17
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
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 ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(furan-2-yl)propan-2-yl]piperazine-2,6-dione?
The IUPAC name of 4-[1-(furan-2-yl)propan-2-yl]piperazine-2,6-dione (CID 63789266) is 4-[1-(furan-2-yl)propan-2-yl]piperazine-2,6-dione.
What is the SMILES notation for 4-[1-(furan-2-yl)propan-2-yl]piperazine-2,6-dione?
The canonical SMILES for 4-[1-(furan-2-yl)propan-2-yl]piperazine-2,6-dione is CC(Cc1ccco1)N1CC(=O)NC(=O)C1.
What is the InChIKey of 4-[1-(furan-2-yl)propan-2-yl]piperazine-2,6-dione?
The InChIKey is OPGLKIJRFBZIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-8(5-9-3-2-4-16-9)13-6-10(14)12-11(15)7-13/h2-4,8H,5-7H2,1H3,(H,12,14,15).
What are the key properties of 4-[1-(furan-2-yl)propan-2-yl]piperazine-2,6-dione?
4-[1-(furan-2-yl)propan-2-yl]piperazine-2,6-dione has a molecular weight of 222.24 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(furan-2-yl)propan-2-yl]piperazine-2,6-dione is sourced from PubChem (CID 63789266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).