3-(7-oxospiro[1,5-dihydrofuro[3,4-f]isoindole-3,4'-piperidine]-6-yl)piperidine-2,6-dione

C19H21N3O4 — CID 169202846

IUPAC3-(7-oxospiro[1,5-dihydrofuro[3,4-f]isoindole-3,4'-piperidine]-6-yl)piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc4c(cc3C2=O)COC42CCNCC2)C(=O)N1
InChIInChI=1S/C19H21N3O4/c23-16-2-1-15(17(24)21-16)22-9-11-8-14-12(7-13(11)18(22)25)10-26-19(14)3-5-20-6-4-19/h7-8,15,20H,1-6,9-10H2,(H,21,23,24)
InChIKeyRFOWJKPCMRQXAX-UHFFFAOYSA-N
MW355.39 g/mol
LogP0.56
Rot. Bonds1

About 3-(7-oxospiro[1,5-dihydrofuro[3,4-f]isoindole-3,4'-piperidine]-6-yl)piperidine-2,6-dione

3-(7-oxospiro[1,5-dihydrofuro[3,4-f]isoindole-3,4'-piperidine]-6-yl)piperidine-2,6-dione (PubChem CID 169202846) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 3-(7-oxospiro[1,5-dihydrofuro[3,4-f]isoindole-3,4'-piperidine]-6-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(7-oxospiro[1,5-dihydrofuro[3,4-f]isoindole-3,4'-piperidine]-6-yl)piperidine-2,6-dione
PubChem CID169202846
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name3-(7-oxospiro[1,5-dihydrofuro[3,4-f]isoindole-3,4'-piperidine]-6-yl)piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc4c(cc3C2=O)COC42CCNCC2)C(=O)N1
InChIInChI=1S/C19H21N3O4/c23-16-2-1-15(17(24)21-16)22-9-11-8-14-12(7-13(11)18(22)25)10-26-19(14)3-5-20-6-4-19/h7-8,15,20H,1-6,9-10H2,(H,21,23,24)
InChIKeyRFOWJKPCMRQXAX-UHFFFAOYSA-N
XLogP0.56
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 ≤ 50.56
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[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl)piperidine-2,6-dione
CID 169202856
(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-(6-oxospiro[4,8-dihydro-3H-pyrano[3,2-f]isoindole-2,3'-azetidine]-7-yl)piperidine-2,6-dione
CID 170927699
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)-1-oxo-3,5,6,7-tetrahydrocyclopenta[f]isoindole-6-carbaldehyde
CID 164920140
3-[5-[(1-oxa-8-azaspiro[4.5]decan-3-ylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167717311
3-(5-fluoro-3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;hydrochloride
CID 155229339
3-(5-fluoro-3-oxo-6-piperidin-4-yl-1H-isoindol-2-yl)piperidine-2,6-dione;hydrochloride
CID 156787370
3-[6-(3-azaspiro[5.5]undecan-9-ylsulfanyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171829377
ethane;3-(5-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 155599247
3-[6-(2,7-diazaspiro[3.4]octan-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171847176
3-[5-[[(4-ethylpiperidin-4-yl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167741296

Frequently Asked Questions

What is the IUPAC name of 3-(7-oxospiro[1,5-dihydrofuro[3,4-f]isoindole-3,4'-piperidine]-6-yl)piperidine-2,6-dione?
The IUPAC name of 3-(7-oxospiro[1,5-dihydrofuro[3,4-f]isoindole-3,4'-piperidine]-6-yl)piperidine-2,6-dione (CID 169202846) is 3-(7-oxospiro[1,5-dihydrofuro[3,4-f]isoindole-3,4'-piperidine]-6-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(7-oxospiro[1,5-dihydrofuro[3,4-f]isoindole-3,4'-piperidine]-6-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(7-oxospiro[1,5-dihydrofuro[3,4-f]isoindole-3,4'-piperidine]-6-yl)piperidine-2,6-dione is O=C1CCC(N2Cc3cc4c(cc3C2=O)COC42CCNCC2)C(=O)N1.
What is the InChIKey of 3-(7-oxospiro[1,5-dihydrofuro[3,4-f]isoindole-3,4'-piperidine]-6-yl)piperidine-2,6-dione?
The InChIKey is RFOWJKPCMRQXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c23-16-2-1-15(17(24)21-16)22-9-11-8-14-12(7-13(11)18(22)25)10-26-19(14)3-5-20-6-4-19/h7-8,15,20H,1-6,9-10H2,(H,21,23,24).
What are the key properties of 3-(7-oxospiro[1,5-dihydrofuro[3,4-f]isoindole-3,4'-piperidine]-6-yl)piperidine-2,6-dione?
3-(7-oxospiro[1,5-dihydrofuro[3,4-f]isoindole-3,4'-piperidine]-6-yl)piperidine-2,6-dione has a molecular weight of 355.39 g/mol, XLogP of 0.56, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-oxospiro[1,5-dihydrofuro[3,4-f]isoindole-3,4'-piperidine]-6-yl)piperidine-2,6-dione is sourced from PubChem (CID 169202846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).