2-(2,6-dioxopiperidin-3-yl)-5-[(2-oxo-2-piperidin-1-ylethyl)amino]isoindole-1,3-dione

C20H22N4O5 — CID 175943061

IUPAC2-(2,6-dioxopiperidin-3-yl)-5-[(2-oxo-2-piperidin-1-ylethyl)amino]isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccc(NCC(=O)N4CCCCC4)cc3C2=O)C(=O)N1
InChIInChI=1S/C20H22N4O5/c25-16-7-6-15(18(27)22-16)24-19(28)13-5-4-12(10-14(13)20(24)29)21-11-17(26)23-8-2-1-3-9-23/h4-5,10,15,21H,1-3,6-9,11H2,(H,22,25,27)
InChIKeyRTFBMWHUVIHVGF-UHFFFAOYSA-N
MW398.42 g/mol
LogP0.51
Rot. Bonds4

About 2-(2,6-dioxopiperidin-3-yl)-5-[(2-oxo-2-piperidin-1-ylethyl)amino]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[(2-oxo-2-piperidin-1-ylethyl)amino]isoindole-1,3-dione (PubChem CID 175943061) has the molecular formula C20H22N4O5 and a molecular weight of 398.42 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[(2-oxo-2-piperidin-1-ylethyl)amino]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-5-[(2-oxo-2-piperidin-1-ylethyl)amino]isoindole-1,3-dione
PubChem CID175943061
Molecular FormulaC20H22N4O5
Molecular Weight398.42 g/mol
Exact Mass398.16
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-5-[(2-oxo-2-piperidin-1-ylethyl)amino]isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccc(NCC(=O)N4CCCCC4)cc3C2=O)C(=O)N1
InChIInChI=1S/C20H22N4O5/c25-16-7-6-15(18(27)22-16)24-19(28)13-5-4-12(10-14(13)20(24)29)21-11-17(26)23-8-2-1-3-9-23/h4-5,10,15,21H,1-3,6-9,11H2,(H,22,25,27)
InChIKeyRTFBMWHUVIHVGF-UHFFFAOYSA-N
XLogP0.51
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(2,6-dioxopiperidin-3-yl)-5-[(2-oxo-2-piperidin-1-ylethyl)amino]isoindole-1,3-dione with MolForge

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Related Compounds

3-[3-oxo-5-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156502172
3-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]cyclobutane-1-carboxylic acid
CID 175333441
2-(2,6-dioxopiperidin-3-yl)-5-[[6-oxo-6-[4-(4-piperidin-1-ylpyrazol-1-yl)piperidin-1-yl]hexyl]amino]isoindole-1,3-dione
CID 166993567
7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]heptanamide
CID 175446333
5-[[6-[4-(4-chlorophenyl)piperidin-1-yl]-6-oxohexyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 166993602
5-(3-aminopropylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 150134441
2-(2,6-dioxopiperidin-3-yl)-5-(2-piperazin-1-ylethylamino)isoindole-1,3-dione
CID 163294539
2-(2,6-dioxopiperidin-3-yl)-5-(methylamino)isoindole-1,3-dione;ethane
CID 166535785
2-(2,6-dioxopiperidin-3-yl)-5-[2-(piperidin-4-ylamino)ethylamino]isoindole-1,3-dione
CID 135175162
2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]propanamide
CID 175271647
5-(9-aminononylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 162482502
N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]butanamide
CID 163906697

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[(2-oxo-2-piperidin-1-ylethyl)amino]isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[(2-oxo-2-piperidin-1-ylethyl)amino]isoindole-1,3-dione (CID 175943061) is 2-(2,6-dioxopiperidin-3-yl)-5-[(2-oxo-2-piperidin-1-ylethyl)amino]isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[(2-oxo-2-piperidin-1-ylethyl)amino]isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[(2-oxo-2-piperidin-1-ylethyl)amino]isoindole-1,3-dione is O=C1CCC(N2C(=O)c3ccc(NCC(=O)N4CCCCC4)cc3C2=O)C(=O)N1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[(2-oxo-2-piperidin-1-ylethyl)amino]isoindole-1,3-dione?
The InChIKey is RTFBMWHUVIHVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O5/c25-16-7-6-15(18(27)22-16)24-19(28)13-5-4-12(10-14(13)20(24)29)21-11-17(26)23-8-2-1-3-9-23/h4-5,10,15,21H,1-3,6-9,11H2,(H,22,25,27).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[(2-oxo-2-piperidin-1-ylethyl)amino]isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-5-[(2-oxo-2-piperidin-1-ylethyl)amino]isoindole-1,3-dione has a molecular weight of 398.42 g/mol, XLogP of 0.51, 4 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)-5-[(2-oxo-2-piperidin-1-ylethyl)amino]isoindole-1,3-dione is sourced from PubChem (CID 175943061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).