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

C17H21NO3 — CID 79309818

IUPAC3-benzyl-4-(oxan-4-yl)piperidine-2,6-dione
SMILESO=C1CC(C2CCOCC2)C(Cc2ccccc2)C(=O)N1
InChIInChI=1S/C17H21NO3/c19-16-11-14(13-6-8-21-9-7-13)15(17(20)18-16)10-12-4-2-1-3-5-12/h1-5,13-15H,6-11H2,(H,18,19,20)
InChIKeyIWDXVUROBFSCQL-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.93
Rot. Bonds3

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

3-benzyl-4-(oxan-4-yl)piperidine-2,6-dione (PubChem CID 79309818) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-benzyl-4-(oxan-4-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-benzyl-4-(oxan-4-yl)piperidine-2,6-dione
PubChem CID79309818
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name3-benzyl-4-(oxan-4-yl)piperidine-2,6-dione
SMILESO=C1CC(C2CCOCC2)C(Cc2ccccc2)C(=O)N1
InChIInChI=1S/C17H21NO3/c19-16-11-14(13-6-8-21-9-7-13)15(17(20)18-16)10-12-4-2-1-3-5-12/h1-5,13-15H,6-11H2,(H,18,19,20)
InChIKeyIWDXVUROBFSCQL-UHFFFAOYSA-N
XLogP1.93
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.93
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 3-benzyl-4-(oxan-4-yl)piperidine-2,6-dione?
The IUPAC name of 3-benzyl-4-(oxan-4-yl)piperidine-2,6-dione (CID 79309818) is 3-benzyl-4-(oxan-4-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-benzyl-4-(oxan-4-yl)piperidine-2,6-dione?
The canonical SMILES for 3-benzyl-4-(oxan-4-yl)piperidine-2,6-dione is O=C1CC(C2CCOCC2)C(Cc2ccccc2)C(=O)N1.
What is the InChIKey of 3-benzyl-4-(oxan-4-yl)piperidine-2,6-dione?
The InChIKey is IWDXVUROBFSCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c19-16-11-14(13-6-8-21-9-7-13)15(17(20)18-16)10-12-4-2-1-3-5-12/h1-5,13-15H,6-11H2,(H,18,19,20).
What are the key properties of 3-benzyl-4-(oxan-4-yl)piperidine-2,6-dione?
3-benzyl-4-(oxan-4-yl)piperidine-2,6-dione has a molecular weight of 287.36 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-(oxan-4-yl)piperidine-2,6-dione is sourced from PubChem (CID 79309818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).