4-(2-oxo-4-phenylpyrrolidin-1-yl)piperidine-2,6-dione

C15H16N2O3 — CID 155661416

IUPAC4-(2-oxo-4-phenylpyrrolidin-1-yl)piperidine-2,6-dione
SMILESO=C1CC(N2CC(c3ccccc3)CC2=O)CC(=O)N1
InChIInChI=1S/C15H16N2O3/c18-13-7-12(8-14(19)16-13)17-9-11(6-15(17)20)10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H,16,18,19)
InChIKeyNBCGZHCWCLYAPH-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.81
Rot. Bonds2

About 4-(2-oxo-4-phenylpyrrolidin-1-yl)piperidine-2,6-dione

4-(2-oxo-4-phenylpyrrolidin-1-yl)piperidine-2,6-dione (PubChem CID 155661416) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 4-(2-oxo-4-phenylpyrrolidin-1-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name4-(2-oxo-4-phenylpyrrolidin-1-yl)piperidine-2,6-dione
PubChem CID155661416
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name4-(2-oxo-4-phenylpyrrolidin-1-yl)piperidine-2,6-dione
SMILESO=C1CC(N2CC(c3ccccc3)CC2=O)CC(=O)N1
InChIInChI=1S/C15H16N2O3/c18-13-7-12(8-14(19)16-13)17-9-11(6-15(17)20)10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H,16,18,19)
InChIKeyNBCGZHCWCLYAPH-UHFFFAOYSA-N
XLogP0.81
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.81
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-(2-oxo-4-phenylpyrrolidin-1-yl)piperidine-2,6-dione?
The IUPAC name of 4-(2-oxo-4-phenylpyrrolidin-1-yl)piperidine-2,6-dione (CID 155661416) is 4-(2-oxo-4-phenylpyrrolidin-1-yl)piperidine-2,6-dione.
What is the SMILES notation for 4-(2-oxo-4-phenylpyrrolidin-1-yl)piperidine-2,6-dione?
The canonical SMILES for 4-(2-oxo-4-phenylpyrrolidin-1-yl)piperidine-2,6-dione is O=C1CC(N2CC(c3ccccc3)CC2=O)CC(=O)N1.
What is the InChIKey of 4-(2-oxo-4-phenylpyrrolidin-1-yl)piperidine-2,6-dione?
The InChIKey is NBCGZHCWCLYAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c18-13-7-12(8-14(19)16-13)17-9-11(6-15(17)20)10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H,16,18,19).
What are the key properties of 4-(2-oxo-4-phenylpyrrolidin-1-yl)piperidine-2,6-dione?
4-(2-oxo-4-phenylpyrrolidin-1-yl)piperidine-2,6-dione has a molecular weight of 272.30 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-4-phenylpyrrolidin-1-yl)piperidine-2,6-dione is sourced from PubChem (CID 155661416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).