3-(7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl)piperidine-2,6-dione

C19H21N3O4 — CID 169202856

IUPAC3-(7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl)piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc4c(cc3C2=O)OCC42CCNCC2)C(=O)N1
InChIInChI=1S/C19H21N3O4/c23-16-2-1-14(17(24)21-16)22-9-11-7-13-15(8-12(11)18(22)25)26-10-19(13)3-5-20-6-4-19/h7-8,14,20H,1-6,9-10H2,(H,21,23,24)
InChIKeyDHNOSFSIXRGOOC-UHFFFAOYSA-N
MW355.39 g/mol
LogP0.46
Rot. Bonds1

About 3-(7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl)piperidine-2,6-dione

3-(7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl)piperidine-2,6-dione (PubChem CID 169202856) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 3-(7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl)piperidine-2,6-dione
PubChem CID169202856
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name3-(7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl)piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc4c(cc3C2=O)OCC42CCNCC2)C(=O)N1
InChIInChI=1S/C19H21N3O4/c23-16-2-1-14(17(24)21-16)22-9-11-7-13-15(8-12(11)18(22)25)26-10-19(13)3-5-20-6-4-19/h7-8,14,20H,1-6,9-10H2,(H,21,23,24)
InChIKeyDHNOSFSIXRGOOC-UHFFFAOYSA-N
XLogP0.46
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(7-oxospiro[1,5-dihydrofuro[3,4-f]isoindole-3,4'-piperidine]-6-yl)piperidine-2,6-dione
CID 169202846
3-[1'-[(2,2-dimethyl-3,4-dihydrochromen-8-yl)methyl]-7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione
CID 169242357
3-[7-oxo-1'-[(4-phenylthiophen-2-yl)methyl]spiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione
CID 169242351
3-[1'-(1H-indol-7-ylmethyl)-7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione
CID 169242371
3-[1'-(1H-indol-4-ylmethyl)-7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione
CID 169242431
3-[7-oxo-1'-[(2-oxo-1H-quinolin-8-yl)methyl]spiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione
CID 169242404
3-[7-oxo-1'-(quinolin-5-ylmethyl)spiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione
CID 169242310
3-[1'-(1H-indazol-4-ylmethyl)-7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione
CID 169242313
3-(8-oxo-2,3,4,6-tetrahydropyrrolo[3,4-g][1,4]benzoxazin-7-yl)piperidine-2,6-dione
CID 156805959
(3S)-3-(6-oxospiro[4,8-dihydro-3H-pyrano[3,2-f]isoindole-2,3'-azetidine]-7-yl)piperidine-2,6-dione
CID 170927699
(3S)-3-(3-oxo-5,6,7,8-tetrahydro-1H-pyrrolo[3,4-g]isoquinolin-2-yl)piperidine-2,6-dione
CID 164919945
(3S)-3-[(3R)-3-(hydroxymethyl)-6-oxo-3,8-dihydro-2H-[1,4]dioxino[2,3-f]isoindol-7-yl]piperidine-2,6-dione
CID 170927559

Frequently Asked Questions

What is the IUPAC name of 3-(7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl)piperidine-2,6-dione?
The IUPAC name of 3-(7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl)piperidine-2,6-dione (CID 169202856) is 3-(7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl)piperidine-2,6-dione is O=C1CCC(N2Cc3cc4c(cc3C2=O)OCC42CCNCC2)C(=O)N1.
What is the InChIKey of 3-(7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl)piperidine-2,6-dione?
The InChIKey is DHNOSFSIXRGOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c23-16-2-1-14(17(24)21-16)22-9-11-7-13-15(8-12(11)18(22)25)26-10-19(13)3-5-20-6-4-19/h7-8,14,20H,1-6,9-10H2,(H,21,23,24).
What are the key properties of 3-(7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl)piperidine-2,6-dione?
3-(7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl)piperidine-2,6-dione has a molecular weight of 355.39 g/mol, XLogP of 0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl)piperidine-2,6-dione is sourced from PubChem (CID 169202856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).