3-(3-oxo-4-phenyl-1H-isoindol-2-yl)piperidine-2,6-dione

C19H16N2O3 — CID 156502012

IUPAC3-(3-oxo-4-phenyl-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cccc(-c4ccccc4)c3C2=O)C(=O)N1
InChIInChI=1S/C19H16N2O3/c22-16-10-9-15(18(23)20-16)21-11-13-7-4-8-14(17(13)19(21)24)12-5-2-1-3-6-12/h1-8,15H,9-11H2,(H,20,22,23)
InChIKeyUUIGKJBPOQJSRL-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.11
Rot. Bonds2

About 3-(3-oxo-4-phenyl-1H-isoindol-2-yl)piperidine-2,6-dione

3-(3-oxo-4-phenyl-1H-isoindol-2-yl)piperidine-2,6-dione (PubChem CID 156502012) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 3-(3-oxo-4-phenyl-1H-isoindol-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(3-oxo-4-phenyl-1H-isoindol-2-yl)piperidine-2,6-dione
PubChem CID156502012
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name3-(3-oxo-4-phenyl-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cccc(-c4ccccc4)c3C2=O)C(=O)N1
InChIInChI=1S/C19H16N2O3/c22-16-10-9-15(18(23)20-16)21-11-13-7-4-8-14(17(13)19(21)24)12-5-2-1-3-6-12/h1-8,15H,9-11H2,(H,20,22,23)
InChIKeyUUIGKJBPOQJSRL-UHFFFAOYSA-N
XLogP2.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

methylazanium;3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 155746155
3-(3-methylidene-1H-isoindol-2-yl)piperidine-2,6-dione
CID 165027847
3-[4-(4-methylpiperidin-1-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155177575
tetrakis(2,2-dimethylpropane);bis(2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione);bis(3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione)
CID 163449958
4-(2,6-dioxopiperidin-3-yl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione
CID 130431899
3-[6-(2-methylphenyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167767771
3-[6-[1-methyl-5-(2-phenylphenyl)pyrazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171075683
2-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-oxo-1H-isoindole-5-carboxylic acid
CID 167342511
2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]isoindole-1,3-dione
CID 170628916
3-(3-oxo-4-piperidin-3-yl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 155177569
2-(2,5-dioxopyrrolidin-3-yl)-3-oxo-1H-isoindole-4-carboxylic acid
CID 167737443
(3S)-3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 12044976

Frequently Asked Questions

What is the IUPAC name of 3-(3-oxo-4-phenyl-1H-isoindol-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-(3-oxo-4-phenyl-1H-isoindol-2-yl)piperidine-2,6-dione (CID 156502012) is 3-(3-oxo-4-phenyl-1H-isoindol-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(3-oxo-4-phenyl-1H-isoindol-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(3-oxo-4-phenyl-1H-isoindol-2-yl)piperidine-2,6-dione is O=C1CCC(N2Cc3cccc(-c4ccccc4)c3C2=O)C(=O)N1.
What is the InChIKey of 3-(3-oxo-4-phenyl-1H-isoindol-2-yl)piperidine-2,6-dione?
The InChIKey is UUIGKJBPOQJSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c22-16-10-9-15(18(23)20-16)21-11-13-7-4-8-14(17(13)19(21)24)12-5-2-1-3-6-12/h1-8,15H,9-11H2,(H,20,22,23).
What are the key properties of 3-(3-oxo-4-phenyl-1H-isoindol-2-yl)piperidine-2,6-dione?
3-(3-oxo-4-phenyl-1H-isoindol-2-yl)piperidine-2,6-dione has a molecular weight of 320.35 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxo-4-phenyl-1H-isoindol-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 156502012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).