4-(furan-3-carbonyl)piperazine-2,6-dione

C9H8N2O4 — CID 66083593

IUPAC4-(furan-3-carbonyl)piperazine-2,6-dione
SMILESO=C1CN(C(=O)c2ccoc2)CC(=O)N1
InChIInChI=1S/C9H8N2O4/c12-7-3-11(4-8(13)10-7)9(14)6-1-2-15-5-6/h1-2,5H,3-4H2,(H,10,12,13)
InChIKeyTXYBMZGLPITYQP-UHFFFAOYSA-N
MW208.17 g/mol
LogP-0.62
Rot. Bonds1

About 4-(furan-3-carbonyl)piperazine-2,6-dione

4-(furan-3-carbonyl)piperazine-2,6-dione (PubChem CID 66083593) has the molecular formula C9H8N2O4 and a molecular weight of 208.17 g/mol. Its IUPAC name is 4-(furan-3-carbonyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(furan-3-carbonyl)piperazine-2,6-dione
PubChem CID66083593
Molecular FormulaC9H8N2O4
Molecular Weight208.17 g/mol
Exact Mass208.05
IUPAC Name4-(furan-3-carbonyl)piperazine-2,6-dione
SMILESO=C1CN(C(=O)c2ccoc2)CC(=O)N1
InChIInChI=1S/C9H8N2O4/c12-7-3-11(4-8(13)10-7)9(14)6-1-2-15-5-6/h1-2,5H,3-4H2,(H,10,12,13)
InChIKeyTXYBMZGLPITYQP-UHFFFAOYSA-N
XLogP-0.62
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(6-oxopyran-3-carbonyl)piperazine-2,6-dione
CID 66084335
4-(3,5-dioxopiperazine-1-carbonyl)-N'-hydroxybenzenecarboximidamide
CID 77111806
4-[4-(hydroxymethyl)benzoyl]piperazine-2,6-dione
CID 66083005
5,7-dihydropyrrolo[3,4-b]pyridin-6-yl(furan-3-yl)methanone
CID 121184528
4-(2-oxo-1,3-dihydroindole-6-carbonyl)piperazine-2,6-dione
CID 102712523
4-(4-hydrazinylbenzoyl)piperazine-2,6-dione
CID 66061853
9-(furan-3-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131645770
(2,6-dimethylmorpholin-4-yl)-(furan-3-yl)methanone
CID 42922601
4-(4-propan-2-yloxybenzoyl)piperazine-2,6-dione
CID 66085905
4-[4-(trifluoromethylsulfanyl)benzoyl]piperazine-2,6-dione
CID 66083933
furan-3-yl-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone
CID 84592483
[3-(chloromethyl)azetidin-1-yl]-(furan-3-yl)methanone
CID 130531402

Frequently Asked Questions

What is the IUPAC name of 4-(furan-3-carbonyl)piperazine-2,6-dione?
The IUPAC name of 4-(furan-3-carbonyl)piperazine-2,6-dione (CID 66083593) is 4-(furan-3-carbonyl)piperazine-2,6-dione.
What is the SMILES notation for 4-(furan-3-carbonyl)piperazine-2,6-dione?
The canonical SMILES for 4-(furan-3-carbonyl)piperazine-2,6-dione is O=C1CN(C(=O)c2ccoc2)CC(=O)N1.
What is the InChIKey of 4-(furan-3-carbonyl)piperazine-2,6-dione?
The InChIKey is TXYBMZGLPITYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O4/c12-7-3-11(4-8(13)10-7)9(14)6-1-2-15-5-6/h1-2,5H,3-4H2,(H,10,12,13).
What are the key properties of 4-(furan-3-carbonyl)piperazine-2,6-dione?
4-(furan-3-carbonyl)piperazine-2,6-dione has a molecular weight of 208.17 g/mol, XLogP of -0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-3-carbonyl)piperazine-2,6-dione is sourced from PubChem (CID 66083593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).