3-(4-fluoroisoindol-2-yl)piperidine-2,6-dione

C13H11FN2O2 — CID 150148571

IUPAC3-(4-fluoroisoindol-2-yl)piperidine-2,6-dione
SMILESO=C1CCC(n2cc3cccc(F)c3c2)C(=O)N1
InChIInChI=1S/C13H11FN2O2/c14-10-3-1-2-8-6-16(7-9(8)10)11-4-5-12(17)15-13(11)18/h1-3,6-7,11H,4-5H2,(H,15,17,18)
InChIKeyFETVQPBNJNKLMK-UHFFFAOYSA-N
MW246.24 g/mol
LogP1.76
Rot. Bonds1

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

3-(4-fluoroisoindol-2-yl)piperidine-2,6-dione (PubChem CID 150148571) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is 3-(4-fluoroisoindol-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(4-fluoroisoindol-2-yl)piperidine-2,6-dione
PubChem CID150148571
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC Name3-(4-fluoroisoindol-2-yl)piperidine-2,6-dione
SMILESO=C1CCC(n2cc3cccc(F)c3c2)C(=O)N1
InChIInChI=1S/C13H11FN2O2/c14-10-3-1-2-8-6-16(7-9(8)10)11-4-5-12(17)15-13(11)18/h1-3,6-7,11H,4-5H2,(H,15,17,18)
InChIKeyFETVQPBNJNKLMK-UHFFFAOYSA-N
XLogP1.76
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 51.76
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

3-[4-(2-piperazin-1-ylethoxy)isoindol-2-yl]piperidine-2,6-dione
CID 175855349
3-(5-bromoisoindol-2-yl)piperidine-2,6-dione
CID 91547260
3-[5-(3,8-diazabicyclo[3.2.1]octan-8-yl)-4,6-difluoroisoindol-2-yl]piperidine-2,6-dione
CID 175880196
3-[4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]isoindol-2-yl]piperidine-2,6-dione
CID 155680726
3-[5-(3,8-diazabicyclo[3.2.1]octan-3-yl)-4,7-difluoroisoindol-2-yl]piperidine-2,6-dione
CID 175880386
3-(7-fluoro-1-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 176695414
3-(5-fluoro-1,3-dihydroxyisoindol-2-yl)piperidine-2,6-dione
CID 175801319
3-(5-fluoro-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 156837320
3-indazol-2-ylpiperidine-2,6-dione
CID 138467082
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoroisoindol-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-(4-fluoroisoindol-2-yl)piperidine-2,6-dione (CID 150148571) is 3-(4-fluoroisoindol-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(4-fluoroisoindol-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(4-fluoroisoindol-2-yl)piperidine-2,6-dione is O=C1CCC(n2cc3cccc(F)c3c2)C(=O)N1.
What is the InChIKey of 3-(4-fluoroisoindol-2-yl)piperidine-2,6-dione?
The InChIKey is FETVQPBNJNKLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c14-10-3-1-2-8-6-16(7-9(8)10)11-4-5-12(17)15-13(11)18/h1-3,6-7,11H,4-5H2,(H,15,17,18).
What are the key properties of 3-(4-fluoroisoindol-2-yl)piperidine-2,6-dione?
3-(4-fluoroisoindol-2-yl)piperidine-2,6-dione has a molecular weight of 246.24 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoroisoindol-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 150148571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).