5-(oxan-4-yl)piperidine-2,4-dione

C10H15NO3 — CID 83818820

IUPAC5-(oxan-4-yl)piperidine-2,4-dione
SMILESO=C1CC(=O)C(C2CCOCC2)CN1
InChIInChI=1S/C10H15NO3/c12-9-5-10(13)11-6-8(9)7-1-3-14-4-2-7/h7-8H,1-6H2,(H,11,13)
InChIKeyDXLXIEYNSPHMCM-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.12
Rot. Bonds1

About 5-(oxan-4-yl)piperidine-2,4-dione

5-(oxan-4-yl)piperidine-2,4-dione (PubChem CID 83818820) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 5-(oxan-4-yl)piperidine-2,4-dione.

Molecular Properties

Compound Name5-(oxan-4-yl)piperidine-2,4-dione
PubChem CID83818820
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name5-(oxan-4-yl)piperidine-2,4-dione
SMILESO=C1CC(=O)C(C2CCOCC2)CN1
InChIInChI=1S/C10H15NO3/c12-9-5-10(13)11-6-8(9)7-1-3-14-4-2-7/h7-8H,1-6H2,(H,11,13)
InChIKeyDXLXIEYNSPHMCM-UHFFFAOYSA-N
XLogP0.12
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(oxan-4-yl)piperidine-2,4-dione?
The IUPAC name of 5-(oxan-4-yl)piperidine-2,4-dione (CID 83818820) is 5-(oxan-4-yl)piperidine-2,4-dione.
What is the SMILES notation for 5-(oxan-4-yl)piperidine-2,4-dione?
The canonical SMILES for 5-(oxan-4-yl)piperidine-2,4-dione is O=C1CC(=O)C(C2CCOCC2)CN1.
What is the InChIKey of 5-(oxan-4-yl)piperidine-2,4-dione?
The InChIKey is DXLXIEYNSPHMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c12-9-5-10(13)11-6-8(9)7-1-3-14-4-2-7/h7-8H,1-6H2,(H,11,13).
What are the key properties of 5-(oxan-4-yl)piperidine-2,4-dione?
5-(oxan-4-yl)piperidine-2,4-dione has a molecular weight of 197.23 g/mol, XLogP of 0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxan-4-yl)piperidine-2,4-dione is sourced from PubChem (CID 83818820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).