2-(2,6-dioxopiperidin-3-yl)-4-[3-(2-morpholin-4-ylethoxy)anilino]isoindole-1,3-dione

C25H26N4O6 — CID 58827325

IUPAC2-(2,6-dioxopiperidin-3-yl)-4-[3-(2-morpholin-4-ylethoxy)anilino]isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3cccc(Nc4cccc(OCCN5CCOCC5)c4)c3C2=O)C(=O)N1
InChIInChI=1S/C25H26N4O6/c30-21-8-7-20(23(31)27-21)29-24(32)18-5-2-6-19(22(18)25(29)33)26-16-3-1-4-17(15-16)35-14-11-28-9-12-34-13-10-28/h1-6,15,20,26H,7-14H2,(H,27,30,31)
InChIKeyKPYUVWANUCMXGX-UHFFFAOYSA-N
MW478.51 g/mol
LogP1.54
Rot. Bonds7

About 2-(2,6-dioxopiperidin-3-yl)-4-[3-(2-morpholin-4-ylethoxy)anilino]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-4-[3-(2-morpholin-4-ylethoxy)anilino]isoindole-1,3-dione (PubChem CID 58827325) has the molecular formula C25H26N4O6 and a molecular weight of 478.51 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-4-[3-(2-morpholin-4-ylethoxy)anilino]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-4-[3-(2-morpholin-4-ylethoxy)anilino]isoindole-1,3-dione
PubChem CID58827325
Molecular FormulaC25H26N4O6
Molecular Weight478.51 g/mol
Exact Mass478.19
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-4-[3-(2-morpholin-4-ylethoxy)anilino]isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3cccc(Nc4cccc(OCCN5CCOCC5)c4)c3C2=O)C(=O)N1
InChIInChI=1S/C25H26N4O6/c30-21-8-7-20(23(31)27-21)29-24(32)18-5-2-6-19(22(18)25(29)33)26-16-3-1-4-17(15-16)35-14-11-28-9-12-34-13-10-28/h1-6,15,20,26H,7-14H2,(H,27,30,31)
InChIKeyKPYUVWANUCMXGX-UHFFFAOYSA-N
XLogP1.54
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.51
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-(2,6-dioxopiperidin-3-yl)-4-[3-(2-morpholin-4-ylethoxy)anilino]isoindole-1,3-dione with MolForge

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Related Compounds

4-anilino-2-[(3S)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
CID 139184599
2-(2,4-dioxocyclohexyl)-4-[2-methoxy-4-(2-morpholin-4-ylethoxy)anilino]isoindole-1,3-dione
CID 58307272
2-(2,4-dioxocyclohexyl)-4-[2-methoxy-4-(2-morpholin-4-ylethoxy)anilino]isoindole-1,3-dione;hydrochloride
CID 123692757
2-(2,6-dioxopiperidin-3-yl)-4-(4-methoxyanilino)isoindole-1,3-dione;ethane
CID 143421244
2-(2,6-dioxopiperidin-3-yl)-4-(2-piperazin-1-ylethoxy)isoindole-1,3-dione
CID 155292487
2-(2,6-dioxopiperidin-3-yl)-4-(2-piperazin-1-ylethylamino)isoindole-1,3-dione
CID 150346621
4-[2-[2-[2-(4-aminopiperidin-1-yl)ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 156865550
4-[3-[3-(4-aminopiperidin-1-yl)propoxy]propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 170395243
4-(cyclooctylmethylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 170242906
2-[(3R)-2,6-dioxopiperidin-3-yl]-4-(methylamino)isoindole-1,3-dione
CID 139441450
2-(2,6-dioxopiperidin-3-yl)-4-[[4-[(4-morpholin-4-ylpiperidin-1-yl)methyl]phenyl]methylamino]isoindole-1,3-dione
CID 146195469
2-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]piperazin-1-yl]acetic acid
CID 167163973

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[3-(2-morpholin-4-ylethoxy)anilino]isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[3-(2-morpholin-4-ylethoxy)anilino]isoindole-1,3-dione (CID 58827325) is 2-(2,6-dioxopiperidin-3-yl)-4-[3-(2-morpholin-4-ylethoxy)anilino]isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-4-[3-(2-morpholin-4-ylethoxy)anilino]isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-4-[3-(2-morpholin-4-ylethoxy)anilino]isoindole-1,3-dione is O=C1CCC(N2C(=O)c3cccc(Nc4cccc(OCCN5CCOCC5)c4)c3C2=O)C(=O)N1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-4-[3-(2-morpholin-4-ylethoxy)anilino]isoindole-1,3-dione?
The InChIKey is KPYUVWANUCMXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O6/c30-21-8-7-20(23(31)27-21)29-24(32)18-5-2-6-19(22(18)25(29)33)26-16-3-1-4-17(15-16)35-14-11-28-9-12-34-13-10-28/h1-6,15,20,26H,7-14H2,(H,27,30,31).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-4-[3-(2-morpholin-4-ylethoxy)anilino]isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-4-[3-(2-morpholin-4-ylethoxy)anilino]isoindole-1,3-dione has a molecular weight of 478.51 g/mol, XLogP of 1.54, 7 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)-4-[3-(2-morpholin-4-ylethoxy)anilino]isoindole-1,3-dione is sourced from PubChem (CID 58827325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).