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

C28H28N4O4 — CID 169242431

IUPAC3-[1'-(1H-indol-4-ylmethyl)-7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc4c(cc3C2=O)OCC42CCN(Cc3cccc4[nH]ccc34)CC2)C(=O)N1
InChIInChI=1S/C28H28N4O4/c33-25-5-4-23(26(34)30-25)32-15-18-12-21-24(13-20(18)27(32)35)36-16-28(21)7-10-31(11-8-28)14-17-2-1-3-22-19(17)6-9-29-22/h1-3,6,9,12-13,23,29H,4-5,7-8,10-11,14-16H2,(H,30,33,34)
InChIKeyVTSSKFXLLDYONF-UHFFFAOYSA-N
MW484.56 g/mol
LogP2.86
Rot. Bonds3

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

3-[1'-(1H-indol-4-ylmethyl)-7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione (PubChem CID 169242431) has the molecular formula C28H28N4O4 and a molecular weight of 484.56 g/mol. Its IUPAC name is 3-[1'-(1H-indol-4-ylmethyl)-7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[1'-(1H-indol-4-ylmethyl)-7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione
PubChem CID169242431
Molecular FormulaC28H28N4O4
Molecular Weight484.56 g/mol
Exact Mass484.21
IUPAC Name3-[1'-(1H-indol-4-ylmethyl)-7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc4c(cc3C2=O)OCC42CCN(Cc3cccc4[nH]ccc34)CC2)C(=O)N1
InChIInChI=1S/C28H28N4O4/c33-25-5-4-23(26(34)30-25)32-15-18-12-21-24(13-20(18)27(32)35)36-16-28(21)7-10-31(11-8-28)14-17-2-1-3-22-19(17)6-9-29-22/h1-3,6,9,12-13,23,29H,4-5,7-8,10-11,14-16H2,(H,30,33,34)
InChIKeyVTSSKFXLLDYONF-UHFFFAOYSA-N
XLogP2.86
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[1'-(1H-indol-4-ylmethyl)-7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione with MolForge

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Related Compounds

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-[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-[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'-[(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'-[(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'-[(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-(7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl)piperidine-2,6-dione
CID 169202856
3-[1'-(1H-indazol-4-ylmethyl)-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione
CID 169201451
3-[6-oxo-1'-[(2-oxo-1,3-dihydroindol-7-yl)methyl]spiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione
CID 169201380
3-[5-fluoro-6-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 169309982
3-[6-oxo-1'-(quinoxalin-5-ylmethyl)spiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione
CID 170278986
3-[1'-[(4-chloronaphthalen-1-yl)methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione
CID 169201224

Frequently Asked Questions

What is the IUPAC name of 3-[1'-(1H-indol-4-ylmethyl)-7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione?
The IUPAC name of 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) is 3-[1'-(1H-indol-4-ylmethyl)-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-[1'-(1H-indol-4-ylmethyl)-7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[1'-(1H-indol-4-ylmethyl)-7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3cc4c(cc3C2=O)OCC42CCN(Cc3cccc4[nH]ccc34)CC2)C(=O)N1.
What is the InChIKey of 3-[1'-(1H-indol-4-ylmethyl)-7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione?
The InChIKey is VTSSKFXLLDYONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O4/c33-25-5-4-23(26(34)30-25)32-15-18-12-21-24(13-20(18)27(32)35)36-16-28(21)7-10-31(11-8-28)14-17-2-1-3-22-19(17)6-9-29-22/h1-3,6,9,12-13,23,29H,4-5,7-8,10-11,14-16H2,(H,30,33,34).
What are the key properties of 3-[1'-(1H-indol-4-ylmethyl)-7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione?
3-[1'-(1H-indol-4-ylmethyl)-7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione has a molecular weight of 484.56 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1'-(1H-indol-4-ylmethyl)-7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione is sourced from PubChem (CID 169242431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).