2-(2,6-dioxopiperidin-3-yl)-5-[2-(piperidin-4-ylamino)ethylamino]isoindole-1,3-dione

C20H25N5O4 — CID 135175162

IUPAC2-(2,6-dioxopiperidin-3-yl)-5-[2-(piperidin-4-ylamino)ethylamino]isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccc(NCCNC4CCNCC4)cc3C2=O)C(=O)N1
InChIInChI=1S/C20H25N5O4/c26-17-4-3-16(18(27)24-17)25-19(28)14-2-1-13(11-15(14)20(25)29)23-10-9-22-12-5-7-21-8-6-12/h1-2,11-12,16,21-23H,3-10H2,(H,24,26,27)
InChIKeyJZTKKAJBEPGCKJ-UHFFFAOYSA-N
MW399.45 g/mol
LogP-0.16
Rot. Bonds6

About 2-(2,6-dioxopiperidin-3-yl)-5-[2-(piperidin-4-ylamino)ethylamino]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[2-(piperidin-4-ylamino)ethylamino]isoindole-1,3-dione (PubChem CID 135175162) has the molecular formula C20H25N5O4 and a molecular weight of 399.45 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[2-(piperidin-4-ylamino)ethylamino]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-5-[2-(piperidin-4-ylamino)ethylamino]isoindole-1,3-dione
PubChem CID135175162
Molecular FormulaC20H25N5O4
Molecular Weight399.45 g/mol
Exact Mass399.19
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-5-[2-(piperidin-4-ylamino)ethylamino]isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccc(NCCNC4CCNCC4)cc3C2=O)C(=O)N1
InChIInChI=1S/C20H25N5O4/c26-17-4-3-16(18(27)24-17)25-19(28)14-2-1-13(11-15(14)20(25)29)23-10-9-22-12-5-7-21-8-6-12/h1-2,11-12,16,21-23H,3-10H2,(H,24,26,27)
InChIKeyJZTKKAJBEPGCKJ-UHFFFAOYSA-N
XLogP-0.16
TPSA119.64 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 5-0.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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

2-(2,6-dioxopiperidin-3-yl)-5-(2-piperazin-1-ylethylamino)isoindole-1,3-dione
CID 163294539
5-(3-aminopropylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 150134441
5-(14-aminotetradecylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 169450048
5-(5-aminopentylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 138562610
5-(9-aminononylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 162482502
2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-(4-piperidin-4-ylpiperazin-1-yl)ethoxy]ethylamino]isoindole-1,3-dione
CID 167462851
7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]heptanamide
CID 175446333
2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethylamino]isoindole-1,3-dione
CID 139402582
2-(2,6-dioxopiperidin-3-yl)-5-[[[(3R)-pyrrolidin-3-yl]amino]methyl]isoindole-1,3-dione
CID 167717864
2-(2,6-dioxopiperidin-3-yl)-5-[2-(2-propoxyethoxy)ethylamino]isoindole-1,3-dione
CID 155177661
5-(2-azaspiro[3.3]heptan-6-ylmethylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 155438872
2-(2,6-dioxopiperidin-3-yl)-5-(methylamino)isoindole-1,3-dione;ethane
CID 166535785

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[2-(piperidin-4-ylamino)ethylamino]isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[2-(piperidin-4-ylamino)ethylamino]isoindole-1,3-dione (CID 135175162) is 2-(2,6-dioxopiperidin-3-yl)-5-[2-(piperidin-4-ylamino)ethylamino]isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[2-(piperidin-4-ylamino)ethylamino]isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[2-(piperidin-4-ylamino)ethylamino]isoindole-1,3-dione is O=C1CCC(N2C(=O)c3ccc(NCCNC4CCNCC4)cc3C2=O)C(=O)N1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[2-(piperidin-4-ylamino)ethylamino]isoindole-1,3-dione?
The InChIKey is JZTKKAJBEPGCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O4/c26-17-4-3-16(18(27)24-17)25-19(28)14-2-1-13(11-15(14)20(25)29)23-10-9-22-12-5-7-21-8-6-12/h1-2,11-12,16,21-23H,3-10H2,(H,24,26,27).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[2-(piperidin-4-ylamino)ethylamino]isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-5-[2-(piperidin-4-ylamino)ethylamino]isoindole-1,3-dione has a molecular weight of 399.45 g/mol, XLogP of -0.16, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-5-[2-(piperidin-4-ylamino)ethylamino]isoindole-1,3-dione is sourced from PubChem (CID 135175162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).