3-(1,3-dioxo-2-phenylinden-2-yl)piperidine-2,6-dione

C20H15NO4 — CID 3059034

IUPAC3-(1,3-dioxo-2-phenylinden-2-yl)piperidine-2,6-dione
SMILESO=C1CCC(C2(c3ccccc3)C(=O)c3ccccc3C2=O)C(=O)N1
InChIInChI=1S/C20H15NO4/c22-16-11-10-15(19(25)21-16)20(12-6-2-1-3-7-12)17(23)13-8-4-5-9-14(13)18(20)24/h1-9,15H,10-11H2,(H,21,22,25)
InChIKeyZKZCNUFRMNKTHH-UHFFFAOYSA-N
MW333.34 g/mol
LogP2.06
Rot. Bonds2

About 3-(1,3-dioxo-2-phenylinden-2-yl)piperidine-2,6-dione

3-(1,3-dioxo-2-phenylinden-2-yl)piperidine-2,6-dione (PubChem CID 3059034) has the molecular formula C20H15NO4 and a molecular weight of 333.34 g/mol. Its IUPAC name is 3-(1,3-dioxo-2-phenylinden-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(1,3-dioxo-2-phenylinden-2-yl)piperidine-2,6-dione
PubChem CID3059034
Molecular FormulaC20H15NO4
Molecular Weight333.34 g/mol
Exact Mass333.10
IUPAC Name3-(1,3-dioxo-2-phenylinden-2-yl)piperidine-2,6-dione
SMILESO=C1CCC(C2(c3ccccc3)C(=O)c3ccccc3C2=O)C(=O)N1
InChIInChI=1S/C20H15NO4/c22-16-11-10-15(19(25)21-16)20(12-6-2-1-3-7-12)17(23)13-8-4-5-9-14(13)18(20)24/h1-9,15H,10-11H2,(H,21,22,25)
InChIKeyZKZCNUFRMNKTHH-UHFFFAOYSA-N
XLogP2.06
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2,2,2-trifluoroacetic acid
CID 175762489
2-[(3R)-3-deuterio-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
CID 45101957
2,2,3-triphenylcyclopentan-1-one
CID 90111687
2-amino-2-phenylindene-1,3-dione
CID 12652647
bis((E)-but-2-enedioic acid);2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 175735508
3-(3-methylidene-1H-isoindol-2-yl)piperidine-2,6-dione
CID 165027847
3-[2-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)ethyl]piperidine-2,6-dione
CID 91165365
3-(2-hydroxyphenyl)piperidine-2,6-dione
CID 171127243

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxo-2-phenylinden-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-(1,3-dioxo-2-phenylinden-2-yl)piperidine-2,6-dione (CID 3059034) is 3-(1,3-dioxo-2-phenylinden-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(1,3-dioxo-2-phenylinden-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(1,3-dioxo-2-phenylinden-2-yl)piperidine-2,6-dione is O=C1CCC(C2(c3ccccc3)C(=O)c3ccccc3C2=O)C(=O)N1.
What is the InChIKey of 3-(1,3-dioxo-2-phenylinden-2-yl)piperidine-2,6-dione?
The InChIKey is ZKZCNUFRMNKTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO4/c22-16-11-10-15(19(25)21-16)20(12-6-2-1-3-7-12)17(23)13-8-4-5-9-14(13)18(20)24/h1-9,15H,10-11H2,(H,21,22,25).
What are the key properties of 3-(1,3-dioxo-2-phenylinden-2-yl)piperidine-2,6-dione?
3-(1,3-dioxo-2-phenylinden-2-yl)piperidine-2,6-dione has a molecular weight of 333.34 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxo-2-phenylinden-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 3059034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).