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

C10H8N2O5 — CID 66084335

IUPAC4-(6-oxopyran-3-carbonyl)piperazine-2,6-dione
SMILESO=C1CN(C(=O)c2ccc(=O)oc2)CC(=O)N1
InChIInChI=1S/C10H8N2O5/c13-7-3-12(4-8(14)11-7)10(16)6-1-2-9(15)17-5-6/h1-2,5H,3-4H2,(H,11,13,14)
InChIKeyHZTQAVIIOUFZIX-UHFFFAOYSA-N
MW236.18 g/mol
LogP-1.26
Rot. Bonds1

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

4-(6-oxopyran-3-carbonyl)piperazine-2,6-dione (PubChem CID 66084335) has the molecular formula C10H8N2O5 and a molecular weight of 236.18 g/mol. Its IUPAC name is 4-(6-oxopyran-3-carbonyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(6-oxopyran-3-carbonyl)piperazine-2,6-dione
PubChem CID66084335
Molecular FormulaC10H8N2O5
Molecular Weight236.18 g/mol
Exact Mass236.04
IUPAC Name4-(6-oxopyran-3-carbonyl)piperazine-2,6-dione
SMILESO=C1CN(C(=O)c2ccc(=O)oc2)CC(=O)N1
InChIInChI=1S/C10H8N2O5/c13-7-3-12(4-8(14)11-7)10(16)6-1-2-9(15)17-5-6/h1-2,5H,3-4H2,(H,11,13,14)
InChIKeyHZTQAVIIOUFZIX-UHFFFAOYSA-N
XLogP-1.26
TPSA96.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.18
LogP ≤ 5-1.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(furan-3-carbonyl)piperazine-2,6-dione
CID 66083593
4-[4-(hydroxymethyl)benzoyl]piperazine-2,6-dione
CID 66083005
4-(6-oxopyran-3-carbonyl)piperazine-1-carbaldehyde
CID 110697449
5-(4-aminopiperidine-1-carbonyl)pyran-2-one
CID 43556219
5-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]pyran-2-one
CID 919353
4-(4-hydrazinylbenzoyl)piperazine-2,6-dione
CID 66061853
4-[4-(dimethylamino)benzoyl]piperazine-2,6-dione
CID 66084706
5-(3-methylpiperazine-1-carbonyl)pyran-2-one
CID 65447478
4-(3,5-dioxopiperazine-1-carbonyl)-N'-hydroxybenzenecarboximidamide
CID 77111806
5-[(3R)-3-aminopyrrolidine-1-carbonyl]pyran-2-one
CID 94339974
4-(2,3-dihydro-1H-isoindole-5-carbonyl)piperazine-2,6-dione
CID 103999097
4-(2-oxo-1,3-dihydroindole-6-carbonyl)piperazine-2,6-dione
CID 102712523

Frequently Asked Questions

What is the IUPAC name of 4-(6-oxopyran-3-carbonyl)piperazine-2,6-dione?
The IUPAC name of 4-(6-oxopyran-3-carbonyl)piperazine-2,6-dione (CID 66084335) is 4-(6-oxopyran-3-carbonyl)piperazine-2,6-dione.
What is the SMILES notation for 4-(6-oxopyran-3-carbonyl)piperazine-2,6-dione?
The canonical SMILES for 4-(6-oxopyran-3-carbonyl)piperazine-2,6-dione is O=C1CN(C(=O)c2ccc(=O)oc2)CC(=O)N1.
What is the InChIKey of 4-(6-oxopyran-3-carbonyl)piperazine-2,6-dione?
The InChIKey is HZTQAVIIOUFZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O5/c13-7-3-12(4-8(14)11-7)10(16)6-1-2-9(15)17-5-6/h1-2,5H,3-4H2,(H,11,13,14).
What are the key properties of 4-(6-oxopyran-3-carbonyl)piperazine-2,6-dione?
4-(6-oxopyran-3-carbonyl)piperazine-2,6-dione has a molecular weight of 236.18 g/mol, XLogP of -1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-oxopyran-3-carbonyl)piperazine-2,6-dione is sourced from PubChem (CID 66084335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).