5-(4,8-diazatricyclo[5.2.2.02,6]undecan-8-ylmethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C23H26N4O4 — CID 167722447

IUPAC5-(4,8-diazatricyclo[5.2.2.02,6]undecan-8-ylmethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccc(CN4CC5CCC4C4CNCC54)cc3C2=O)C(=O)N1
InChIInChI=1S/C23H26N4O4/c28-20-6-5-19(21(29)25-20)27-22(30)14-3-1-12(7-15(14)23(27)31)10-26-11-13-2-4-18(26)17-9-24-8-16(13)17/h1,3,7,13,16-19,24H,2,4-6,8-11H2,(H,25,28,29)
InChIKeyGXNWFXCINSABPO-UHFFFAOYSA-N
MW422.49 g/mol
LogP0.52
Rot. Bonds3

About 5-(4,8-diazatricyclo[5.2.2.02,6]undecan-8-ylmethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

5-(4,8-diazatricyclo[5.2.2.02,6]undecan-8-ylmethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 167722447) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is 5-(4,8-diazatricyclo[5.2.2.02,6]undecan-8-ylmethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-(4,8-diazatricyclo[5.2.2.02,6]undecan-8-ylmethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID167722447
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC Name5-(4,8-diazatricyclo[5.2.2.02,6]undecan-8-ylmethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccc(CN4CC5CCC4C4CNCC54)cc3C2=O)C(=O)N1
InChIInChI=1S/C23H26N4O4/c28-20-6-5-19(21(29)25-20)27-22(30)14-3-1-12(7-15(14)23(27)31)10-26-11-13-2-4-18(26)17-9-24-8-16(13)17/h1,3,7,13,16-19,24H,2,4-6,8-11H2,(H,25,28,29)
InChIKeyGXNWFXCINSABPO-UHFFFAOYSA-N
XLogP0.52
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(3,6-diazabicyclo[3.2.1]octan-6-ylmethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167734807
2-(2,6-dioxopiperidin-3-yl)-5-[(2-piperidin-4-ylpyrrolidin-1-yl)methyl]isoindole-1,3-dione
CID 167720796
5-[[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167716886
5-[(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-ylmethylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167736839
5-[(3-aminoazetidin-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167733813
2-(2,6-dioxopiperidin-3-yl)-5-[(7-methyl-1,4-diazepan-1-yl)methyl]isoindole-1,3-dione
CID 167716655
2-(2,6-dioxopiperidin-3-yl)-5-(imidazolidin-1-ylmethyl)isoindole-1,3-dione
CID 167715877
5-(3,4,4a,5,6,7,8,8a-octahydro-1H-2,6-naphthyridin-2-ylmethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167731647
5-[(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167726003
2-(2,6-dioxopiperidin-3-yl)-5-[(3-piperazin-1-ylazetidin-1-yl)methyl]isoindole-1,3-dione
CID 167720853
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-1,5-naphthyridin-1-ylmethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167736723
5-[[2-(aminomethyl)-5-methylpiperidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167728351

Frequently Asked Questions

What is the IUPAC name of 5-(4,8-diazatricyclo[5.2.2.02,6]undecan-8-ylmethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 5-(4,8-diazatricyclo[5.2.2.02,6]undecan-8-ylmethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 167722447) is 5-(4,8-diazatricyclo[5.2.2.02,6]undecan-8-ylmethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 5-(4,8-diazatricyclo[5.2.2.02,6]undecan-8-ylmethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 5-(4,8-diazatricyclo[5.2.2.02,6]undecan-8-ylmethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is O=C1CCC(N2C(=O)c3ccc(CN4CC5CCC4C4CNCC54)cc3C2=O)C(=O)N1.
What is the InChIKey of 5-(4,8-diazatricyclo[5.2.2.02,6]undecan-8-ylmethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is GXNWFXCINSABPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4/c28-20-6-5-19(21(29)25-20)27-22(30)14-3-1-12(7-15(14)23(27)31)10-26-11-13-2-4-18(26)17-9-24-8-16(13)17/h1,3,7,13,16-19,24H,2,4-6,8-11H2,(H,25,28,29).
What are the key properties of 5-(4,8-diazatricyclo[5.2.2.02,6]undecan-8-ylmethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
5-(4,8-diazatricyclo[5.2.2.02,6]undecan-8-ylmethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 422.49 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,8-diazatricyclo[5.2.2.02,6]undecan-8-ylmethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 167722447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).