3-(6-fluoro-3-oxo-1,2-benzoselenazol-2-yl)piperidine-2,6-dione

C12H9FN2O3Se — CID 160690351

IUPAC3-(6-fluoro-3-oxo-1,2-benzoselenazol-2-yl)piperidine-2,6-dione
SMILESO=C1CCC(n2[se]c3cc(F)ccc3c2=O)C(=O)N1
InChIInChI=1S/C12H9FN2O3Se/c13-6-1-2-7-9(5-6)19-15(12(7)18)8-3-4-10(16)14-11(8)17/h1-2,5,8H,3-4H2,(H,14,16,17)
InChIKeyWETLHGKGPPAPQC-UHFFFAOYSA-N
MW327.17 g/mol
LogP0.18
Rot. Bonds1

About 3-(6-fluoro-3-oxo-1,2-benzoselenazol-2-yl)piperidine-2,6-dione

3-(6-fluoro-3-oxo-1,2-benzoselenazol-2-yl)piperidine-2,6-dione (PubChem CID 160690351) has the molecular formula C12H9FN2O3Se and a molecular weight of 327.17 g/mol. Its IUPAC name is 3-(6-fluoro-3-oxo-1,2-benzoselenazol-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(6-fluoro-3-oxo-1,2-benzoselenazol-2-yl)piperidine-2,6-dione
PubChem CID160690351
Molecular FormulaC12H9FN2O3Se
Molecular Weight327.17 g/mol
Exact Mass327.98
IUPAC Name3-(6-fluoro-3-oxo-1,2-benzoselenazol-2-yl)piperidine-2,6-dione
SMILESO=C1CCC(n2[se]c3cc(F)ccc3c2=O)C(=O)N1
InChIInChI=1S/C12H9FN2O3Se/c13-6-1-2-7-9(5-6)19-15(12(7)18)8-3-4-10(16)14-11(8)17/h1-2,5,8H,3-4H2,(H,14,16,17)
InChIKeyWETLHGKGPPAPQC-UHFFFAOYSA-N
XLogP0.18
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(5-fluoro-1,3-dihydroxyisoindol-2-yl)piperidine-2,6-dione
CID 175801319
3-(7-methoxy-3-oxo-1,2-benzoselenazol-2-yl)piperidine-2,6-dione
CID 157440550
3-(7-fluoro-4H-quinazolin-3-yl)piperidine-2,6-dione
CID 10125318
3-(4-fluoroisoindol-2-yl)piperidine-2,6-dione
CID 150148571
(3R)-3-(2,5-dioxopyrrolidin-1-yl)piperidine-2,6-dione
CID 121493318
3-[6-[5-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171074995
3-(5-fluoro-7-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167273533
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-fluorobenzenesulfonamide
CID 164938612
3-(2,5-difluoroanilino)piperidine-2,6-dione
CID 170749830
(3S)-3-(7-bromo-5-fluoro-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 178078015
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665

Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-3-oxo-1,2-benzoselenazol-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-(6-fluoro-3-oxo-1,2-benzoselenazol-2-yl)piperidine-2,6-dione (CID 160690351) is 3-(6-fluoro-3-oxo-1,2-benzoselenazol-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(6-fluoro-3-oxo-1,2-benzoselenazol-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(6-fluoro-3-oxo-1,2-benzoselenazol-2-yl)piperidine-2,6-dione is O=C1CCC(n2[se]c3cc(F)ccc3c2=O)C(=O)N1.
What is the InChIKey of 3-(6-fluoro-3-oxo-1,2-benzoselenazol-2-yl)piperidine-2,6-dione?
The InChIKey is WETLHGKGPPAPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O3Se/c13-6-1-2-7-9(5-6)19-15(12(7)18)8-3-4-10(16)14-11(8)17/h1-2,5,8H,3-4H2,(H,14,16,17).
What are the key properties of 3-(6-fluoro-3-oxo-1,2-benzoselenazol-2-yl)piperidine-2,6-dione?
3-(6-fluoro-3-oxo-1,2-benzoselenazol-2-yl)piperidine-2,6-dione has a molecular weight of 327.17 g/mol, XLogP of 0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-3-oxo-1,2-benzoselenazol-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 160690351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).