2-(2,6-dioxopiperidin-3-yl)-5-[3-[3-(3-methoxypropoxy)propoxy]azetidin-1-yl]isoindole-1,3-dione

C23H29N3O7 — CID 134492958

IUPAC2-(2,6-dioxopiperidin-3-yl)-5-[3-[3-(3-methoxypropoxy)propoxy]azetidin-1-yl]isoindole-1,3-dione
SMILESCOCCCOCCCOC1CN(c2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)C1
InChIInChI=1S/C23H29N3O7/c1-31-8-2-9-32-10-3-11-33-16-13-25(14-16)15-4-5-17-18(12-15)23(30)26(22(17)29)19-6-7-20(27)24-21(19)28/h4-5,12,16,19H,2-3,6-11,13-14H2,1H3,(H,24,27,28)
InChIKeyWFXDDMSLEKJLGM-UHFFFAOYSA-N
MW459.50 g/mol
LogP0.74
Rot. Bonds11

About 2-(2,6-dioxopiperidin-3-yl)-5-[3-[3-(3-methoxypropoxy)propoxy]azetidin-1-yl]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[3-[3-(3-methoxypropoxy)propoxy]azetidin-1-yl]isoindole-1,3-dione (PubChem CID 134492958) has the molecular formula C23H29N3O7 and a molecular weight of 459.50 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[3-[3-(3-methoxypropoxy)propoxy]azetidin-1-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-5-[3-[3-(3-methoxypropoxy)propoxy]azetidin-1-yl]isoindole-1,3-dione
PubChem CID134492958
Molecular FormulaC23H29N3O7
Molecular Weight459.50 g/mol
Exact Mass459.20
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-5-[3-[3-(3-methoxypropoxy)propoxy]azetidin-1-yl]isoindole-1,3-dione
SMILESCOCCCOCCCOC1CN(c2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)C1
InChIInChI=1S/C23H29N3O7/c1-31-8-2-9-32-10-3-11-33-16-13-25(14-16)15-4-5-17-18(12-15)23(30)26(22(17)29)19-6-7-20(27)24-21(19)28/h4-5,12,16,19H,2-3,6-11,13-14H2,1H3,(H,24,27,28)
InChIKeyWFXDDMSLEKJLGM-UHFFFAOYSA-N
XLogP0.74
TPSA114.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.50
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]oxypropanal
CID 134489055
5-(azetidin-1-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 164846090
2-[(3R)-1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidin-3-yl]oxyacetic acid
CID 171800237
5-(3,3-dimethylpiperidin-1-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 175659776
1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidine-3-carbonitrile
CID 175765867
2-(2,6-dioxopiperidin-3-yl)-5-(3-piperazin-1-ylazetidin-1-yl)isoindole-1,3-dione;ethane
CID 156709609
3-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]propanal
CID 168740492
2-(2,6-dioxopiperidin-3-yl)-5-(3-iodopyrrolidin-1-yl)isoindole-1,3-dione
CID 155177559
2-(2,6-dioxopiperidin-3-yl)-5-(4-methylpiperazin-1-yl)isoindole-1,3-dione;ethane
CID 171786631
2-(2,6-dioxopiperidin-3-yl)-5-[3-[(4-methylpiperazin-1-yl)methyl]azetidin-1-yl]isoindole-1,3-dione
CID 156709683
2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione
CID 134413720
5-[3-[3-(diethylamino)azetidin-1-yl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 155358249

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[3-[3-(3-methoxypropoxy)propoxy]azetidin-1-yl]isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[3-[3-(3-methoxypropoxy)propoxy]azetidin-1-yl]isoindole-1,3-dione (CID 134492958) is 2-(2,6-dioxopiperidin-3-yl)-5-[3-[3-(3-methoxypropoxy)propoxy]azetidin-1-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[3-[3-(3-methoxypropoxy)propoxy]azetidin-1-yl]isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[3-[3-(3-methoxypropoxy)propoxy]azetidin-1-yl]isoindole-1,3-dione is COCCCOCCCOC1CN(c2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)C1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[3-[3-(3-methoxypropoxy)propoxy]azetidin-1-yl]isoindole-1,3-dione?
The InChIKey is WFXDDMSLEKJLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O7/c1-31-8-2-9-32-10-3-11-33-16-13-25(14-16)15-4-5-17-18(12-15)23(30)26(22(17)29)19-6-7-20(27)24-21(19)28/h4-5,12,16,19H,2-3,6-11,13-14H2,1H3,(H,24,27,28).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[3-[3-(3-methoxypropoxy)propoxy]azetidin-1-yl]isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-5-[3-[3-(3-methoxypropoxy)propoxy]azetidin-1-yl]isoindole-1,3-dione has a molecular weight of 459.50 g/mol, XLogP of 0.74, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-5-[3-[3-(3-methoxypropoxy)propoxy]azetidin-1-yl]isoindole-1,3-dione is sourced from PubChem (CID 134492958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).