5-[[2,3-dihydro-1H-isoindol-4-ylmethyl(methyl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C24H24N4O4 — CID 167715437

IUPAC5-[[2,3-dihydro-1H-isoindol-4-ylmethyl(methyl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESCN(Cc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O)Cc1cccc2c1CNC2
InChIInChI=1S/C24H24N4O4/c1-27(13-16-4-2-3-15-10-25-11-19(15)16)12-14-5-6-17-18(9-14)24(32)28(23(17)31)20-7-8-21(29)26-22(20)30/h2-6,9,20,25H,7-8,10-13H2,1H3,(H,26,29,30)
InChIKeyQFEBIBCLIVUQDD-UHFFFAOYSA-N
MW432.48 g/mol
LogP1.32
Rot. Bonds5

About 5-[[2,3-dihydro-1H-isoindol-4-ylmethyl(methyl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

5-[[2,3-dihydro-1H-isoindol-4-ylmethyl(methyl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 167715437) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is 5-[[2,3-dihydro-1H-isoindol-4-ylmethyl(methyl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-[[2,3-dihydro-1H-isoindol-4-ylmethyl(methyl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID167715437
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC Name5-[[2,3-dihydro-1H-isoindol-4-ylmethyl(methyl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESCN(Cc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O)Cc1cccc2c1CNC2
InChIInChI=1S/C24H24N4O4/c1-27(13-16-4-2-3-15-10-25-11-19(15)16)12-14-5-6-17-18(9-14)24(32)28(23(17)31)20-7-8-21(29)26-22(20)30/h2-6,9,20,25H,7-8,10-13H2,1H3,(H,26,29,30)
InChIKeyQFEBIBCLIVUQDD-UHFFFAOYSA-N
XLogP1.32
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 51.32
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-[(2,3-dihydro-1H-isoindol-4-ylmethylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167731075
5-[[2-(azetidin-3-yl)ethyl-methylamino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167724564
2-(2,6-dioxopiperidin-3-yl)-5-[(1,2,3,4-tetrahydroisoquinolin-5-ylamino)methyl]isoindole-1,3-dione
CID 167715697
5-[[6-aminohexyl(methyl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167717770
2-(2,6-dioxopiperidin-3-yl)-5-[[methyl-[3-(methylamino)propyl]amino]methyl]isoindole-1,3-dione
CID 167735217
5-[[[1-(aminomethyl)cyclopropyl]methyl-methylamino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167739389
2-(2,6-dioxopiperidin-3-yl)-5-[[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]methyl]isoindole-1,3-dione
CID 167720194
5-[[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167718447
5-[[[(2S)-1-aminopropan-2-yl]-methylamino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167739552
5-[[2-(2-azabicyclo[3.1.1]heptan-1-yl)ethyl-methylamino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167721043
5-[[azetidin-3-yl(oxetan-3-yl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167723499
2-(2,6-dioxopiperidin-3-yl)-5-[(4-methylpiperazin-1-yl)methyl]isoindole-1,3-dione
CID 168872542

Frequently Asked Questions

What is the IUPAC name of 5-[[2,3-dihydro-1H-isoindol-4-ylmethyl(methyl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 5-[[2,3-dihydro-1H-isoindol-4-ylmethyl(methyl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 167715437) is 5-[[2,3-dihydro-1H-isoindol-4-ylmethyl(methyl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 5-[[2,3-dihydro-1H-isoindol-4-ylmethyl(methyl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 5-[[2,3-dihydro-1H-isoindol-4-ylmethyl(methyl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is CN(Cc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O)Cc1cccc2c1CNC2.
What is the InChIKey of 5-[[2,3-dihydro-1H-isoindol-4-ylmethyl(methyl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is QFEBIBCLIVUQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-27(13-16-4-2-3-15-10-25-11-19(15)16)12-14-5-6-17-18(9-14)24(32)28(23(17)31)20-7-8-21(29)26-22(20)30/h2-6,9,20,25H,7-8,10-13H2,1H3,(H,26,29,30).
What are the key properties of 5-[[2,3-dihydro-1H-isoindol-4-ylmethyl(methyl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
5-[[2,3-dihydro-1H-isoindol-4-ylmethyl(methyl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 432.48 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2,3-dihydro-1H-isoindol-4-ylmethyl(methyl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 167715437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).