5-(2-azaspiro[3.3]heptan-6-ylmethylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C20H22N4O4 — CID 155438872

IUPAC5-(2-azaspiro[3.3]heptan-6-ylmethylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccc(NCC4CC5(CNC5)C4)cc3C2=O)C(=O)N1
InChIInChI=1S/C20H22N4O4/c25-16-4-3-15(17(26)23-16)24-18(27)13-2-1-12(5-14(13)19(24)28)22-8-11-6-20(7-11)9-21-10-20/h1-2,5,11,15,21-22H,3-4,6-10H2,(H,23,25,26)
InChIKeyJSFBXTRPVPEGDY-UHFFFAOYSA-N
MW382.42 g/mol
LogP0.50
Rot. Bonds4

About 5-(2-azaspiro[3.3]heptan-6-ylmethylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

5-(2-azaspiro[3.3]heptan-6-ylmethylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 155438872) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is 5-(2-azaspiro[3.3]heptan-6-ylmethylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-(2-azaspiro[3.3]heptan-6-ylmethylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID155438872
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name5-(2-azaspiro[3.3]heptan-6-ylmethylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccc(NCC4CC5(CNC5)C4)cc3C2=O)C(=O)N1
InChIInChI=1S/C20H22N4O4/c25-16-4-3-15(17(26)23-16)24-18(27)13-2-1-12(5-14(13)19(24)28)22-8-11-6-20(7-11)9-21-10-20/h1-2,5,11,15,21-22H,3-4,6-10H2,(H,23,25,26)
InChIKeyJSFBXTRPVPEGDY-UHFFFAOYSA-N
XLogP0.50
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]cyclobutane-1-carboxylic acid
CID 175333441
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-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
7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]heptanamide
CID 175446333
5-[(7-azaspiro[3.5]nonan-2-ylmethylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167722203
2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethylamino]isoindole-1,3-dione
CID 139402582
6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]hexoxy thiohypoiodite
CID 169150145

Frequently Asked Questions

What is the IUPAC name of 5-(2-azaspiro[3.3]heptan-6-ylmethylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 5-(2-azaspiro[3.3]heptan-6-ylmethylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 155438872) is 5-(2-azaspiro[3.3]heptan-6-ylmethylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 5-(2-azaspiro[3.3]heptan-6-ylmethylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 5-(2-azaspiro[3.3]heptan-6-ylmethylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is O=C1CCC(N2C(=O)c3ccc(NCC4CC5(CNC5)C4)cc3C2=O)C(=O)N1.
What is the InChIKey of 5-(2-azaspiro[3.3]heptan-6-ylmethylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is JSFBXTRPVPEGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c25-16-4-3-15(17(26)23-16)24-18(27)13-2-1-12(5-14(13)19(24)28)22-8-11-6-20(7-11)9-21-10-20/h1-2,5,11,15,21-22H,3-4,6-10H2,(H,23,25,26).
What are the key properties of 5-(2-azaspiro[3.3]heptan-6-ylmethylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
5-(2-azaspiro[3.3]heptan-6-ylmethylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 382.42 g/mol, XLogP of 0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-azaspiro[3.3]heptan-6-ylmethylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 155438872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).