2-(2,6-dioxopiperidin-3-yl)-5-[4-(1-hydroxy-2-phenylethyl)triazol-1-yl]isoindole-1,3-dione

C23H19N5O5 — CID 167968292

IUPAC2-(2,6-dioxopiperidin-3-yl)-5-[4-(1-hydroxy-2-phenylethyl)triazol-1-yl]isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccc(-n4cc(C(O)Cc5ccccc5)nn4)cc3C2=O)C(=O)N1
InChIInChI=1S/C23H19N5O5/c29-19(10-13-4-2-1-3-5-13)17-12-27(26-25-17)14-6-7-15-16(11-14)23(33)28(22(15)32)18-8-9-20(30)24-21(18)31/h1-7,11-12,18-19,29H,8-10H2,(H,24,30,31)
InChIKeyHEUZVIDPWDUWHL-UHFFFAOYSA-N
MW445.44 g/mol
LogP0.94
Rot. Bonds5

About 2-(2,6-dioxopiperidin-3-yl)-5-[4-(1-hydroxy-2-phenylethyl)triazol-1-yl]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[4-(1-hydroxy-2-phenylethyl)triazol-1-yl]isoindole-1,3-dione (PubChem CID 167968292) has the molecular formula C23H19N5O5 and a molecular weight of 445.44 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[4-(1-hydroxy-2-phenylethyl)triazol-1-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-5-[4-(1-hydroxy-2-phenylethyl)triazol-1-yl]isoindole-1,3-dione
PubChem CID167968292
Molecular FormulaC23H19N5O5
Molecular Weight445.44 g/mol
Exact Mass445.14
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-5-[4-(1-hydroxy-2-phenylethyl)triazol-1-yl]isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccc(-n4cc(C(O)Cc5ccccc5)nn4)cc3C2=O)C(=O)N1
InChIInChI=1S/C23H19N5O5/c29-19(10-13-4-2-1-3-5-13)17-12-27(26-25-17)14-6-7-15-16(11-14)23(33)28(22(15)32)18-8-9-20(30)24-21(18)31/h1-7,11-12,18-19,29H,8-10H2,(H,24,30,31)
InChIKeyHEUZVIDPWDUWHL-UHFFFAOYSA-N
XLogP0.94
TPSA134.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.44
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(aminomethyl)triazol-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2,2,2-trifluoroacetic acid
CID 170914777
3-[5-[4-[hydroxy(phenyl)methyl]triazol-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167864604
3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]triazol-1-yl]benzenesulfonamide
CID 167956148
3-[6-[4-(1-hydroxy-2-methylpropyl)triazol-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167761400
5-(azetidin-1-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 164846090
3-[5-[4-(2-cyclopropyl-2-hydroxyethyl)triazol-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167878992
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100
3-[6-[4-(2-hydroxypropyl)triazol-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167791176
5-(4-benzhydrylpiperazin-1-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 171829291
2-(2,6-dioxopiperidin-3-yl)-5-(3-iodopyrrolidin-1-yl)isoindole-1,3-dione
CID 155177559

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[4-(1-hydroxy-2-phenylethyl)triazol-1-yl]isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[4-(1-hydroxy-2-phenylethyl)triazol-1-yl]isoindole-1,3-dione (CID 167968292) is 2-(2,6-dioxopiperidin-3-yl)-5-[4-(1-hydroxy-2-phenylethyl)triazol-1-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[4-(1-hydroxy-2-phenylethyl)triazol-1-yl]isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[4-(1-hydroxy-2-phenylethyl)triazol-1-yl]isoindole-1,3-dione is O=C1CCC(N2C(=O)c3ccc(-n4cc(C(O)Cc5ccccc5)nn4)cc3C2=O)C(=O)N1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[4-(1-hydroxy-2-phenylethyl)triazol-1-yl]isoindole-1,3-dione?
The InChIKey is HEUZVIDPWDUWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O5/c29-19(10-13-4-2-1-3-5-13)17-12-27(26-25-17)14-6-7-15-16(11-14)23(33)28(22(15)32)18-8-9-20(30)24-21(18)31/h1-7,11-12,18-19,29H,8-10H2,(H,24,30,31).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[4-(1-hydroxy-2-phenylethyl)triazol-1-yl]isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-5-[4-(1-hydroxy-2-phenylethyl)triazol-1-yl]isoindole-1,3-dione has a molecular weight of 445.44 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-5-[4-(1-hydroxy-2-phenylethyl)triazol-1-yl]isoindole-1,3-dione is sourced from PubChem (CID 167968292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).