4-(oxan-3-yl)piperidine-2,6-dione

C10H15NO3 — CID 63741319

IUPAC4-(oxan-3-yl)piperidine-2,6-dione
SMILESO=C1CC(C2CCCOC2)CC(=O)N1
InChIInChI=1S/C10H15NO3/c12-9-4-8(5-10(13)11-9)7-2-1-3-14-6-7/h7-8H,1-6H2,(H,11,12,13)
InChIKeyPFGQQAFSUVLZRO-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.47
Rot. Bonds1

About 4-(oxan-3-yl)piperidine-2,6-dione

4-(oxan-3-yl)piperidine-2,6-dione (PubChem CID 63741319) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 4-(oxan-3-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name4-(oxan-3-yl)piperidine-2,6-dione
PubChem CID63741319
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name4-(oxan-3-yl)piperidine-2,6-dione
SMILESO=C1CC(C2CCCOC2)CC(=O)N1
InChIInChI=1S/C10H15NO3/c12-9-4-8(5-10(13)11-9)7-2-1-3-14-6-7/h7-8H,1-6H2,(H,11,12,13)
InChIKeyPFGQQAFSUVLZRO-UHFFFAOYSA-N
XLogP0.47
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 ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(oxan-3-yl)piperidine-2,6-dione?
The IUPAC name of 4-(oxan-3-yl)piperidine-2,6-dione (CID 63741319) is 4-(oxan-3-yl)piperidine-2,6-dione.
What is the SMILES notation for 4-(oxan-3-yl)piperidine-2,6-dione?
The canonical SMILES for 4-(oxan-3-yl)piperidine-2,6-dione is O=C1CC(C2CCCOC2)CC(=O)N1.
What is the InChIKey of 4-(oxan-3-yl)piperidine-2,6-dione?
The InChIKey is PFGQQAFSUVLZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c12-9-4-8(5-10(13)11-9)7-2-1-3-14-6-7/h7-8H,1-6H2,(H,11,12,13).
What are the key properties of 4-(oxan-3-yl)piperidine-2,6-dione?
4-(oxan-3-yl)piperidine-2,6-dione has a molecular weight of 197.23 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-3-yl)piperidine-2,6-dione is sourced from PubChem (CID 63741319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).