2-(3-benzyl-2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione

C20H16N2O5 — CID 166923724

IUPAC2-(3-benzyl-2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione
SMILESO=C1CCC(Cc2ccccc2)(N2C(=O)c3cccc(O)c3C2=O)C(=O)N1
InChIInChI=1S/C20H16N2O5/c23-14-8-4-7-13-16(14)18(26)22(17(13)25)20(10-9-15(24)21-19(20)27)11-12-5-2-1-3-6-12/h1-8,23H,9-11H2,(H,21,24,27)
InChIKeyGAYIYBHGYFWYBF-UHFFFAOYSA-N
MW364.36 g/mol
LogP1.41
Rot. Bonds3

About 2-(3-benzyl-2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione

2-(3-benzyl-2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione (PubChem CID 166923724) has the molecular formula C20H16N2O5 and a molecular weight of 364.36 g/mol. Its IUPAC name is 2-(3-benzyl-2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione.

Molecular Properties

Compound Name2-(3-benzyl-2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione
PubChem CID166923724
Molecular FormulaC20H16N2O5
Molecular Weight364.36 g/mol
Exact Mass364.11
IUPAC Name2-(3-benzyl-2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione
SMILESO=C1CCC(Cc2ccccc2)(N2C(=O)c3cccc(O)c3C2=O)C(=O)N1
InChIInChI=1S/C20H16N2O5/c23-14-8-4-7-13-16(14)18(26)22(17(13)25)20(10-9-15(24)21-19(20)27)11-12-5-2-1-3-6-12/h1-8,23H,9-11H2,(H,21,24,27)
InChIKeyGAYIYBHGYFWYBF-UHFFFAOYSA-N
XLogP1.41
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-(3-benzyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 166923781
2-(3-benzyl-2,6-dioxopiperidin-3-yl)-4-hydroxy-5-(1H-pyrazol-4-yl)isoindole-1,3-dione
CID 166923902
benzyl N-[[3-(1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-3-yl]methyl]carbamate
CID 58572152
4-amino-2-[3-(4-aminobutyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione;hydrochloride
CID 67997624
N-[[3-(4-acetamido-1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-3-yl]methyl]acetamide
CID 58572144
4-amino-2-[(3S)-2,6-dioxo-3-(trideuteriomethyl)piperidin-3-yl]isoindole-1,3-dione
CID 140915010
ethane;2-(3-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 163267686
N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]benzamide
CID 142663798
methane;N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide
CID 158707870
2-amino-N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide
CID 11530279
2-(2,5-dioxopyrrolidin-3-yl)-4-hydroxyisoindole-1,3-dione
CID 170907328
2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]-4-nitroisoindole-1,3-dione
CID 10805414

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione?
The IUPAC name of 2-(3-benzyl-2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione (CID 166923724) is 2-(3-benzyl-2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione.
What is the SMILES notation for 2-(3-benzyl-2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione?
The canonical SMILES for 2-(3-benzyl-2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione is O=C1CCC(Cc2ccccc2)(N2C(=O)c3cccc(O)c3C2=O)C(=O)N1.
What is the InChIKey of 2-(3-benzyl-2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione?
The InChIKey is GAYIYBHGYFWYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O5/c23-14-8-4-7-13-16(14)18(26)22(17(13)25)20(10-9-15(24)21-19(20)27)11-12-5-2-1-3-6-12/h1-8,23H,9-11H2,(H,21,24,27).
What are the key properties of 2-(3-benzyl-2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione?
2-(3-benzyl-2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione has a molecular weight of 364.36 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione is sourced from PubChem (CID 166923724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).