3-(3'-methyl-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl)piperidine-2,6-dione

C20H23N3O4 — CID 169201293

IUPAC3-(3'-methyl-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl)piperidine-2,6-dione
SMILESCC1CNCCC12COc1c2ccc2c1CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C20H23N3O4/c1-11-8-21-7-6-20(11)10-27-17-13-9-23(15-4-5-16(24)22-18(15)25)19(26)12(13)2-3-14(17)20/h2-3,11,15,21H,4-10H2,1H3,(H,22,24,25)
InChIKeyOBDPTQMBRUOAFT-UHFFFAOYSA-N
MW369.42 g/mol
LogP0.71
Rot. Bonds1

About 3-(3'-methyl-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl)piperidine-2,6-dione

3-(3'-methyl-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl)piperidine-2,6-dione (PubChem CID 169201293) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 3-(3'-methyl-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(3'-methyl-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl)piperidine-2,6-dione
PubChem CID169201293
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name3-(3'-methyl-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl)piperidine-2,6-dione
SMILESCC1CNCCC12COc1c2ccc2c1CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C20H23N3O4/c1-11-8-21-7-6-20(11)10-27-17-13-9-23(15-4-5-16(24)22-18(15)25)19(26)12(13)2-3-14(17)20/h2-3,11,15,21H,4-10H2,1H3,(H,22,24,25)
InChIKeyOBDPTQMBRUOAFT-UHFFFAOYSA-N
XLogP0.71
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 50.71
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-[1'-[[4-(1,1-difluoroethyl)phenyl]methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione
CID 170278911
3-[1'-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione
CID 170279639
3-[1'-[(4,4-difluorocyclohexyl)methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione
CID 169201245
3-[1'-[[3-(hydroxymethyl)phenyl]methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione
CID 170279144
4-[[7-(2,6-dioxopiperidin-3-yl)-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-1'-yl]methyl]-N,N-dimethylbenzamide
CID 169201456
3-[1'-(2-bicyclo[2.2.1]heptanylmethyl)-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione
CID 169201118
3-[6-oxo-1'-[[(1R,2R)-2-phenylcyclopropyl]methyl]spiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione
CID 176808522
3-[1'-(isoquinolin-4-ylmethyl)-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione
CID 169201377
3-[1'-[(3-methylsulfonylphenyl)methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione
CID 169201034
(3S)-3-[1'-[[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione
CID 169201474
N-[3-[[7-(2,6-dioxopiperidin-3-yl)-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-1'-yl]methyl]phenyl]methanesulfonamide
CID 176808523
3-[6-oxo-1'-(quinoxalin-6-ylmethyl)spiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione
CID 169201254

Frequently Asked Questions

What is the IUPAC name of 3-(3'-methyl-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl)piperidine-2,6-dione?
The IUPAC name of 3-(3'-methyl-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl)piperidine-2,6-dione (CID 169201293) is 3-(3'-methyl-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(3'-methyl-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(3'-methyl-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl)piperidine-2,6-dione is CC1CNCCC12COc1c2ccc2c1CN(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 3-(3'-methyl-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl)piperidine-2,6-dione?
The InChIKey is OBDPTQMBRUOAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-11-8-21-7-6-20(11)10-27-17-13-9-23(15-4-5-16(24)22-18(15)25)19(26)12(13)2-3-14(17)20/h2-3,11,15,21H,4-10H2,1H3,(H,22,24,25).
What are the key properties of 3-(3'-methyl-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl)piperidine-2,6-dione?
3-(3'-methyl-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl)piperidine-2,6-dione has a molecular weight of 369.42 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3'-methyl-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl)piperidine-2,6-dione is sourced from PubChem (CID 169201293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).