2-(4,6-dioxopiperidin-3-yl)-5-(2-propoxyethoxy)isoindole-1,3-dione

C18H20N2O6 — CID 157308457

IUPAC2-(4,6-dioxopiperidin-3-yl)-5-(2-propoxyethoxy)isoindole-1,3-dione
SMILESCCCOCCOc1ccc2c(c1)C(=O)N(C1CNC(=O)CC1=O)C2=O
InChIInChI=1S/C18H20N2O6/c1-2-5-25-6-7-26-11-3-4-12-13(8-11)18(24)20(17(12)23)14-10-19-16(22)9-15(14)21/h3-4,8,14H,2,5-7,9-10H2,1H3,(H,19,22)
InChIKeyQQAQXEDIKFSRKR-UHFFFAOYSA-N
MW360.37 g/mol
LogP0.55
Rot. Bonds7

About 2-(4,6-dioxopiperidin-3-yl)-5-(2-propoxyethoxy)isoindole-1,3-dione

2-(4,6-dioxopiperidin-3-yl)-5-(2-propoxyethoxy)isoindole-1,3-dione (PubChem CID 157308457) has the molecular formula C18H20N2O6 and a molecular weight of 360.37 g/mol. Its IUPAC name is 2-(4,6-dioxopiperidin-3-yl)-5-(2-propoxyethoxy)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(4,6-dioxopiperidin-3-yl)-5-(2-propoxyethoxy)isoindole-1,3-dione
PubChem CID157308457
Molecular FormulaC18H20N2O6
Molecular Weight360.37 g/mol
Exact Mass360.13
IUPAC Name2-(4,6-dioxopiperidin-3-yl)-5-(2-propoxyethoxy)isoindole-1,3-dione
SMILESCCCOCCOc1ccc2c(c1)C(=O)N(C1CNC(=O)CC1=O)C2=O
InChIInChI=1S/C18H20N2O6/c1-2-5-25-6-7-26-11-3-4-12-13(8-11)18(24)20(17(12)23)14-10-19-16(22)9-15(14)21/h3-4,8,14H,2,5-7,9-10H2,1H3,(H,19,22)
InChIKeyQQAQXEDIKFSRKR-UHFFFAOYSA-N
XLogP0.55
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]isoindole-1,3-dione
CID 156828351
2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione
CID 166064249
5-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride
CID 169449996
2-(2,6-dioxopiperidin-3-yl)-5-[2-(2-propoxyethoxy)ethylamino]isoindole-1,3-dione
CID 155177661
5-(2-chloroethoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 135147131
5-[2-(azetidin-3-yloxy)ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 156867219
2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[4-[1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethoxy]ethoxy]isoindole-1,3-dione
CID 146566231
6-(2-propoxyethoxy)-1-benzofuran-3-one
CID 106452922
2-(2,6-dioxopiperidin-3-yl)-5-[5-(2-phenylmethoxyethoxy)pentoxy]isoindole-1,3-dione
CID 134492748
5-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentoxy]pentanal
CID 134489138
5-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 155673299
2-(1,2-dihydroxypyrrolidin-3-yl)-5-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;hydrochloride
CID 168859991

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dioxopiperidin-3-yl)-5-(2-propoxyethoxy)isoindole-1,3-dione?
The IUPAC name of 2-(4,6-dioxopiperidin-3-yl)-5-(2-propoxyethoxy)isoindole-1,3-dione (CID 157308457) is 2-(4,6-dioxopiperidin-3-yl)-5-(2-propoxyethoxy)isoindole-1,3-dione.
What is the SMILES notation for 2-(4,6-dioxopiperidin-3-yl)-5-(2-propoxyethoxy)isoindole-1,3-dione?
The canonical SMILES for 2-(4,6-dioxopiperidin-3-yl)-5-(2-propoxyethoxy)isoindole-1,3-dione is CCCOCCOc1ccc2c(c1)C(=O)N(C1CNC(=O)CC1=O)C2=O.
What is the InChIKey of 2-(4,6-dioxopiperidin-3-yl)-5-(2-propoxyethoxy)isoindole-1,3-dione?
The InChIKey is QQAQXEDIKFSRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6/c1-2-5-25-6-7-26-11-3-4-12-13(8-11)18(24)20(17(12)23)14-10-19-16(22)9-15(14)21/h3-4,8,14H,2,5-7,9-10H2,1H3,(H,19,22).
What are the key properties of 2-(4,6-dioxopiperidin-3-yl)-5-(2-propoxyethoxy)isoindole-1,3-dione?
2-(4,6-dioxopiperidin-3-yl)-5-(2-propoxyethoxy)isoindole-1,3-dione has a molecular weight of 360.37 g/mol, XLogP of 0.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dioxopiperidin-3-yl)-5-(2-propoxyethoxy)isoindole-1,3-dione is sourced from PubChem (CID 157308457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).