5-ethyl-2-(2-hydroxy-6-oxopiperidin-3-yl)isoindole-1,3-dione

C15H16N2O4 — CID 143637983

IUPAC5-ethyl-2-(2-hydroxy-6-oxopiperidin-3-yl)isoindole-1,3-dione
SMILESCCc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1O)C2=O
InChIInChI=1S/C15H16N2O4/c1-2-8-3-4-9-10(7-8)15(21)17(14(9)20)11-5-6-12(18)16-13(11)19/h3-4,7,11,13,19H,2,5-6H2,1H3,(H,16,18)
InChIKeyMPYRRXSKBVWRNQ-UHFFFAOYSA-N
MW288.30 g/mol
LogP0.44
Rot. Bonds2

About 5-ethyl-2-(2-hydroxy-6-oxopiperidin-3-yl)isoindole-1,3-dione

5-ethyl-2-(2-hydroxy-6-oxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 143637983) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 5-ethyl-2-(2-hydroxy-6-oxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-ethyl-2-(2-hydroxy-6-oxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID143637983
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name5-ethyl-2-(2-hydroxy-6-oxopiperidin-3-yl)isoindole-1,3-dione
SMILESCCc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1O)C2=O
InChIInChI=1S/C15H16N2O4/c1-2-8-3-4-9-10(7-8)15(21)17(14(9)20)11-5-6-12(18)16-13(11)19/h3-4,7,11,13,19H,2,5-6H2,1H3,(H,16,18)
InChIKeyMPYRRXSKBVWRNQ-UHFFFAOYSA-N
XLogP0.44
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-(2-hydroxy-6-oxopiperidin-3-yl)isoindole-1,3-dione
CID 146558902
2-(2-hydroxy-6-oxopiperidin-3-yl)-5-(methylsulfanylmethyl)-3H-isoindol-1-one
CID 166845794
5-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 157474778
2-(2,6-dioxopiperidin-3-yl)-5-[[methyl(methylidene)-λ4-sulfanyl]methyl]isoindole-1,3-dione
CID 177161217
2-[(3R)-2-hydroxy-6-oxopiperidin-3-yl]-3H-isoindol-1-one
CID 146547624
5-[[[(2R,3S)-3-amino-4-hydroxybutan-2-yl]amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167716592
tert-butyl N-[(E)-2-[2-(2-hydroxy-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]ethenyl]carbamate
CID 139373743
2-(2,6-dioxopiperidin-3-yl)-5-[(4-methylpiperazin-1-yl)methyl]isoindole-1,3-dione
CID 168872542
2-cyclohexyl-5-[2-(4-methylphenyl)ethyl]isoindole-1,3-dione
CID 59545457
5-[[[(2S)-1-aminopropan-2-yl]-methylamino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167739552
5-[[6-[4-(2-chlorophenyl)piperidin-1-yl]-6-oxohexyl]amino]-2-(2-hydroxy-6-oxopiperidin-3-yl)isoindole-1,3-dione
CID 166993431
2-(2,4-dioxo-1,3-diazinan-1-yl)-5-(hydroxymethyl)isoindole-1,3-dione
CID 172610462

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(2-hydroxy-6-oxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 5-ethyl-2-(2-hydroxy-6-oxopiperidin-3-yl)isoindole-1,3-dione (CID 143637983) is 5-ethyl-2-(2-hydroxy-6-oxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 5-ethyl-2-(2-hydroxy-6-oxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 5-ethyl-2-(2-hydroxy-6-oxopiperidin-3-yl)isoindole-1,3-dione is CCc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1O)C2=O.
What is the InChIKey of 5-ethyl-2-(2-hydroxy-6-oxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is MPYRRXSKBVWRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-2-8-3-4-9-10(7-8)15(21)17(14(9)20)11-5-6-12(18)16-13(11)19/h3-4,7,11,13,19H,2,5-6H2,1H3,(H,16,18).
What are the key properties of 5-ethyl-2-(2-hydroxy-6-oxopiperidin-3-yl)isoindole-1,3-dione?
5-ethyl-2-(2-hydroxy-6-oxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 288.30 g/mol, XLogP of 0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(2-hydroxy-6-oxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 143637983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).