3-(7-methoxy-3-oxo-1,2-benzoselenazol-2-yl)piperidine-2,6-dione

C13H12N2O4Se — CID 157440550

IUPAC3-(7-methoxy-3-oxo-1,2-benzoselenazol-2-yl)piperidine-2,6-dione
SMILESCOc1cccc2c(=O)n(C3CCC(=O)NC3=O)[se]c12
InChIInChI=1S/C13H12N2O4Se/c1-19-9-4-2-3-7-11(9)20-15(13(7)18)8-5-6-10(16)14-12(8)17/h2-4,8H,5-6H2,1H3,(H,14,16,17)
InChIKeyJWJYGYDTUUMZFM-UHFFFAOYSA-N
MW339.21 g/mol
LogP0.04
Rot. Bonds2

About 3-(7-methoxy-3-oxo-1,2-benzoselenazol-2-yl)piperidine-2,6-dione

3-(7-methoxy-3-oxo-1,2-benzoselenazol-2-yl)piperidine-2,6-dione (PubChem CID 157440550) has the molecular formula C13H12N2O4Se and a molecular weight of 339.21 g/mol. Its IUPAC name is 3-(7-methoxy-3-oxo-1,2-benzoselenazol-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(7-methoxy-3-oxo-1,2-benzoselenazol-2-yl)piperidine-2,6-dione
PubChem CID157440550
Molecular FormulaC13H12N2O4Se
Molecular Weight339.21 g/mol
Exact Mass340.00
IUPAC Name3-(7-methoxy-3-oxo-1,2-benzoselenazol-2-yl)piperidine-2,6-dione
SMILESCOc1cccc2c(=O)n(C3CCC(=O)NC3=O)[se]c12
InChIInChI=1S/C13H12N2O4Se/c1-19-9-4-2-3-7-11(9)20-15(13(7)18)8-5-6-10(16)14-12(8)17/h2-4,8H,5-6H2,1H3,(H,14,16,17)
InChIKeyJWJYGYDTUUMZFM-UHFFFAOYSA-N
XLogP0.04
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.21
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(6-fluoro-3-oxo-1,2-benzoselenazol-2-yl)piperidine-2,6-dione
CID 160690351
3-(7-methoxy-3H-1,2-benzoselenazol-2-yl)piperidine-2,6-dione
CID 159386129
2-(2,6-dioxopiperidin-3-yl)-4-methoxyisoindole-1,3-dione
CID 158666282
3-(5,6-dimethoxy-3-oxo-1,2-benzoselenazol-2-yl)piperidine-2,6-dione;(2S,5R,6R)-3,3-dimethyl-7-oxo-6-(3-oxo-1,2-benzoselenazol-2-yl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;2-(2,6-dioxopiperidin-3-yl)-3-oxo-1,2-benzoselenazole-7-carbonitrile;3-(7-fluoro-3-oxo-1,2-benzoselenazol-2-yl)piperidine-2,6-dione;3-(5-methoxy-3-oxo-1,2-benzoselenazol-2-yl)piperidine-2,6-dione;3-(7-methoxy-3-oxo-1,2-benzoselenazol-2-yl)piperidine-2,6-dione;3-(7-methyl-3-oxo-1,2-benzoselenazol-2-yl)piperidine-2,6-dione;3-(5,6,7-trimethoxy-3-oxo-1,2-benzoselenazol-2-yl)piperidine-2,6-dione
CID 157440545
3-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167342225
1-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroxyisoindol-4-yl]methylidene]-3-(2-methoxyphenyl)urea
CID 136658572
2-(2,6-dioxopiperidin-3-yl)-5-hydroxy-6-methoxyisoindole-1,3-dione
CID 163267813
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
2-(7-methoxy-3-oxo-1,2-benzoselenazol-2-yl)propanoic acid
CID 88596821
3-(4-bromo-1-oxoisoquinolin-2-yl)piperidine-2,6-dione
CID 175556384
3-(3-methylindol-1-yl)piperidine-2,6-dione
CID 138467080
(3S)-3-(3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
CID 166733310

Frequently Asked Questions

What is the IUPAC name of 3-(7-methoxy-3-oxo-1,2-benzoselenazol-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-(7-methoxy-3-oxo-1,2-benzoselenazol-2-yl)piperidine-2,6-dione (CID 157440550) is 3-(7-methoxy-3-oxo-1,2-benzoselenazol-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(7-methoxy-3-oxo-1,2-benzoselenazol-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(7-methoxy-3-oxo-1,2-benzoselenazol-2-yl)piperidine-2,6-dione is COc1cccc2c(=O)n(C3CCC(=O)NC3=O)[se]c12.
What is the InChIKey of 3-(7-methoxy-3-oxo-1,2-benzoselenazol-2-yl)piperidine-2,6-dione?
The InChIKey is JWJYGYDTUUMZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4Se/c1-19-9-4-2-3-7-11(9)20-15(13(7)18)8-5-6-10(16)14-12(8)17/h2-4,8H,5-6H2,1H3,(H,14,16,17).
What are the key properties of 3-(7-methoxy-3-oxo-1,2-benzoselenazol-2-yl)piperidine-2,6-dione?
3-(7-methoxy-3-oxo-1,2-benzoselenazol-2-yl)piperidine-2,6-dione has a molecular weight of 339.21 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methoxy-3-oxo-1,2-benzoselenazol-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 157440550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).