5-(7-azaspiro[3.5]nonan-2-yl)-2-(2,6-dihydroxypiperidin-3-yl)isoindole-1,3-dione

C21H27N3O4 — CID 176705298

IUPAC5-(7-azaspiro[3.5]nonan-2-yl)-2-(2,6-dihydroxypiperidin-3-yl)isoindole-1,3-dione
SMILESO=C1c2ccc(C3CC4(CCNCC4)C3)cc2C(=O)N1C1CCC(O)NC1O
InChIInChI=1S/C21H27N3O4/c25-17-4-3-16(18(26)23-17)24-19(27)14-2-1-12(9-15(14)20(24)28)13-10-21(11-13)5-7-22-8-6-21/h1-2,9,13,16-18,22-23,25-26H,3-8,10-11H2
InChIKeyOLFOJPZXVBJGMH-UHFFFAOYSA-N
MW385.46 g/mol
LogP0.92
Rot. Bonds2

About 5-(7-azaspiro[3.5]nonan-2-yl)-2-(2,6-dihydroxypiperidin-3-yl)isoindole-1,3-dione

5-(7-azaspiro[3.5]nonan-2-yl)-2-(2,6-dihydroxypiperidin-3-yl)isoindole-1,3-dione (PubChem CID 176705298) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is 5-(7-azaspiro[3.5]nonan-2-yl)-2-(2,6-dihydroxypiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-(7-azaspiro[3.5]nonan-2-yl)-2-(2,6-dihydroxypiperidin-3-yl)isoindole-1,3-dione
PubChem CID176705298
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name5-(7-azaspiro[3.5]nonan-2-yl)-2-(2,6-dihydroxypiperidin-3-yl)isoindole-1,3-dione
SMILESO=C1c2ccc(C3CC4(CCNCC4)C3)cc2C(=O)N1C1CCC(O)NC1O
InChIInChI=1S/C21H27N3O4/c25-17-4-3-16(18(26)23-17)24-19(27)14-2-1-12(9-15(14)20(24)28)13-10-21(11-13)5-7-22-8-6-21/h1-2,9,13,16-18,22-23,25-26H,3-8,10-11H2
InChIKeyOLFOJPZXVBJGMH-UHFFFAOYSA-N
XLogP0.92
TPSA101.90 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 50.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-(7-azaspiro[3.5]nonan-2-yl)-2-(2,6-dihydroxypiperidin-3-yl)isoindole-1,3-dione with MolForge

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Related Compounds

2-(2,6-dihydroxypiperidin-3-yl)-1,3-dioxoisoindole-5-carbonitrile
CID 163362452
3-[6-(7-azaspiro[3.5]nonan-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 178161571
2-(2,6-dioxopiperidin-3-yl)-5-piperidin-4-ylisoindole-1,3-dione;ethane
CID 142367515
5-[(7-azaspiro[3.5]nonan-2-ylmethylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167722203
2-(2,6-dihydroxypiperidin-3-yl)-5-[7-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]isoindole-1,3-dione
CID 170564451
2-(2,6-dihydroxypiperidin-3-yl)-4-nitroisoindole-1,3-dione
CID 151015971
2-(2,6-dihydroxypiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonitrile
CID 163362453
2-(2,6-dihydroxypiperidin-3-yl)-4-(2-hydroxyethylamino)isoindole-1,3-dione
CID 176657173
5-(3,9-diazaspiro[5.5]undecan-3-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride
CID 171705610
2-(2,6-dioxopiperidin-3-yl)-5-(4-hydroxypiperidin-4-yl)isoindole-1,3-dione;hydrochloride
CID 170694198
2-(2,6-dioxopiperidin-3-yl)-5-[1-(2-piperazin-1-ylethyl)piperidin-4-yl]isoindole-1,3-dione
CID 175835892
5-ethyl-2-(2-hydroxy-6-oxopiperidin-3-yl)isoindole-1,3-dione
CID 143637983

Frequently Asked Questions

What is the IUPAC name of 5-(7-azaspiro[3.5]nonan-2-yl)-2-(2,6-dihydroxypiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 5-(7-azaspiro[3.5]nonan-2-yl)-2-(2,6-dihydroxypiperidin-3-yl)isoindole-1,3-dione (CID 176705298) is 5-(7-azaspiro[3.5]nonan-2-yl)-2-(2,6-dihydroxypiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 5-(7-azaspiro[3.5]nonan-2-yl)-2-(2,6-dihydroxypiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 5-(7-azaspiro[3.5]nonan-2-yl)-2-(2,6-dihydroxypiperidin-3-yl)isoindole-1,3-dione is O=C1c2ccc(C3CC4(CCNCC4)C3)cc2C(=O)N1C1CCC(O)NC1O.
What is the InChIKey of 5-(7-azaspiro[3.5]nonan-2-yl)-2-(2,6-dihydroxypiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is OLFOJPZXVBJGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c25-17-4-3-16(18(26)23-17)24-19(27)14-2-1-12(9-15(14)20(24)28)13-10-21(11-13)5-7-22-8-6-21/h1-2,9,13,16-18,22-23,25-26H,3-8,10-11H2.
What are the key properties of 5-(7-azaspiro[3.5]nonan-2-yl)-2-(2,6-dihydroxypiperidin-3-yl)isoindole-1,3-dione?
5-(7-azaspiro[3.5]nonan-2-yl)-2-(2,6-dihydroxypiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 385.46 g/mol, XLogP of 0.92, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-azaspiro[3.5]nonan-2-yl)-2-(2,6-dihydroxypiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 176705298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).