2-(2,6-dioxopiperidin-3-yl)-4-(spiro[2H-indole-3,3'-azetidine]-1-ylmethyl)isoindole-1,3-dione

C24H22N4O4 — CID 167740003

IUPAC2-(2,6-dioxopiperidin-3-yl)-4-(spiro[2H-indole-3,3'-azetidine]-1-ylmethyl)isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3cccc(CN4CC5(CNC5)c5ccccc54)c3C2=O)C(=O)N1
InChIInChI=1S/C24H22N4O4/c29-19-9-8-18(21(30)26-19)28-22(31)15-5-3-4-14(20(15)23(28)32)10-27-13-24(11-25-12-24)16-6-1-2-7-17(16)27/h1-7,18,25H,8-13H2,(H,26,29,30)
InChIKeyRMGJUKGZASRSRF-UHFFFAOYSA-N
MW430.46 g/mol
LogP0.95
Rot. Bonds3

About 2-(2,6-dioxopiperidin-3-yl)-4-(spiro[2H-indole-3,3'-azetidine]-1-ylmethyl)isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-4-(spiro[2H-indole-3,3'-azetidine]-1-ylmethyl)isoindole-1,3-dione (PubChem CID 167740003) has the molecular formula C24H22N4O4 and a molecular weight of 430.46 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-4-(spiro[2H-indole-3,3'-azetidine]-1-ylmethyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-4-(spiro[2H-indole-3,3'-azetidine]-1-ylmethyl)isoindole-1,3-dione
PubChem CID167740003
Molecular FormulaC24H22N4O4
Molecular Weight430.46 g/mol
Exact Mass430.16
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-4-(spiro[2H-indole-3,3'-azetidine]-1-ylmethyl)isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3cccc(CN4CC5(CNC5)c5ccccc54)c3C2=O)C(=O)N1
InChIInChI=1S/C24H22N4O4/c29-19-9-8-18(21(30)26-19)28-22(31)15-5-3-4-14(20(15)23(28)32)10-27-13-24(11-25-12-24)16-6-1-2-7-17(16)27/h1-7,18,25H,8-13H2,(H,26,29,30)
InChIKeyRMGJUKGZASRSRF-UHFFFAOYSA-N
XLogP0.95
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 50.95
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

4-[[3-(2-aminoethyl)-3-hydroxyazetidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167720275
4-(chloromethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 168870811
2-(2,6-dioxopiperidin-3-yl)-4-(5-thia-2,8-diazaspiro[3.4]octan-8-ylmethyl)isoindole-1,3-dione
CID 167729978
4-[(3-amino-3-methylazetidin-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167742001
2-(2,6-dioxopiperidin-3-yl)-4-(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethyl)isoindole-1,3-dione
CID 167740197
4-[(6,6-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167735577
4-[(4-amino-3,5-dimethylpiperidin-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167728924
4-[(4-aminopiperidin-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167727971
4-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 154670467
4-[(7,7-dimethyl-1,4-diazepan-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167717168
2-(2,6-dioxopiperidin-3-yl)-4-[[4-(2-piperidin-4-ylethyl)piperidin-1-yl]methyl]isoindole-1,3-dione
CID 167718533
2-(2,6-dioxopiperidin-3-yl)-4-[[4-(piperidin-4-ylmethyl)piperazin-1-yl]methyl]isoindole-1,3-dione
CID 167738619

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-(spiro[2H-indole-3,3'-azetidine]-1-ylmethyl)isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-(spiro[2H-indole-3,3'-azetidine]-1-ylmethyl)isoindole-1,3-dione (CID 167740003) is 2-(2,6-dioxopiperidin-3-yl)-4-(spiro[2H-indole-3,3'-azetidine]-1-ylmethyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-4-(spiro[2H-indole-3,3'-azetidine]-1-ylmethyl)isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-4-(spiro[2H-indole-3,3'-azetidine]-1-ylmethyl)isoindole-1,3-dione is O=C1CCC(N2C(=O)c3cccc(CN4CC5(CNC5)c5ccccc54)c3C2=O)C(=O)N1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-4-(spiro[2H-indole-3,3'-azetidine]-1-ylmethyl)isoindole-1,3-dione?
The InChIKey is RMGJUKGZASRSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4/c29-19-9-8-18(21(30)26-19)28-22(31)15-5-3-4-14(20(15)23(28)32)10-27-13-24(11-25-12-24)16-6-1-2-7-17(16)27/h1-7,18,25H,8-13H2,(H,26,29,30).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-4-(spiro[2H-indole-3,3'-azetidine]-1-ylmethyl)isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-4-(spiro[2H-indole-3,3'-azetidine]-1-ylmethyl)isoindole-1,3-dione has a molecular weight of 430.46 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-4-(spiro[2H-indole-3,3'-azetidine]-1-ylmethyl)isoindole-1,3-dione is sourced from PubChem (CID 167740003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).