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

C10H15NO3 — CID 124547163

IUPAC(5S)-5-(oxan-4-yl)piperidine-2,4-dione
SMILESO=C1CC(=O)[C@@H](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)/t8-/m1/s1
InChIKeyDXLXIEYNSPHMCM-MRVPVSSYSA-N
MW197.23 g/mol
LogP0.12
Rot. Bonds1

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

(5S)-5-(oxan-4-yl)piperidine-2,4-dione (PubChem CID 124547163) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is (5S)-5-(oxan-4-yl)piperidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(oxan-4-yl)piperidine-2,4-dione
PubChem CID124547163
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name(5S)-5-(oxan-4-yl)piperidine-2,4-dione
SMILESO=C1CC(=O)[C@@H](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)/t8-/m1/s1
InChIKeyDXLXIEYNSPHMCM-MRVPVSSYSA-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'}

Analyze (5S)-5-(oxan-4-yl)piperidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(oxan-4-yl)piperidine-2,4-dione?
The IUPAC name of (5S)-5-(oxan-4-yl)piperidine-2,4-dione (CID 124547163) is (5S)-5-(oxan-4-yl)piperidine-2,4-dione.
What is the SMILES notation for (5S)-5-(oxan-4-yl)piperidine-2,4-dione?
The canonical SMILES for (5S)-5-(oxan-4-yl)piperidine-2,4-dione is O=C1CC(=O)[C@@H](C2CCOCC2)CN1.
What is the InChIKey of (5S)-5-(oxan-4-yl)piperidine-2,4-dione?
The InChIKey is DXLXIEYNSPHMCM-MRVPVSSYSA-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)/t8-/m1/s1.
What are the key properties of (5S)-5-(oxan-4-yl)piperidine-2,4-dione?
(5S)-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 (5S)-5-(oxan-4-yl)piperidine-2,4-dione is sourced from PubChem (CID 124547163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).