3-[1'-[(4,4-difluorocyclohexyl)methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione

C26H31F2N3O4 — CID 169201245

IUPAC3-[1'-[(4,4-difluorocyclohexyl)methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3c(ccc4c3OCC43CCN(CC4CCC(F)(F)CC4)CC3)C2=O)C(=O)N1
InChIInChI=1S/C26H31F2N3O4/c27-26(28)7-5-16(6-8-26)13-30-11-9-25(10-12-30)15-35-22-18-14-31(20-3-4-21(32)29-23(20)33)24(34)17(18)1-2-19(22)25/h1-2,16,20H,3-15H2,(H,29,32,33)
InChIKeyQLHCKMGMZFTRSB-UHFFFAOYSA-N
MW487.55 g/mol
LogP3.00
Rot. Bonds3

About 3-[1'-[(4,4-difluorocyclohexyl)methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione

3-[1'-[(4,4-difluorocyclohexyl)methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione (PubChem CID 169201245) has the molecular formula C26H31F2N3O4 and a molecular weight of 487.55 g/mol. Its IUPAC name is 3-[1'-[(4,4-difluorocyclohexyl)methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[1'-[(4,4-difluorocyclohexyl)methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione
PubChem CID169201245
Molecular FormulaC26H31F2N3O4
Molecular Weight487.55 g/mol
Exact Mass487.23
IUPAC Name3-[1'-[(4,4-difluorocyclohexyl)methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3c(ccc4c3OCC43CCN(CC4CCC(F)(F)CC4)CC3)C2=O)C(=O)N1
InChIInChI=1S/C26H31F2N3O4/c27-26(28)7-5-16(6-8-26)13-30-11-9-25(10-12-30)15-35-22-18-14-31(20-3-4-21(32)29-23(20)33)24(34)17(18)1-2-19(22)25/h1-2,16,20H,3-15H2,(H,29,32,33)
InChIKeyQLHCKMGMZFTRSB-UHFFFAOYSA-N
XLogP3.00
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.55
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[1'-[(4,4-difluorocyclohexyl)methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione with MolForge

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Related Compounds

(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
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'-[[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-chloronaphthalen-1-yl)methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione
CID 169201224
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
3-[1'-[[2-(oxan-4-yl)pyrazol-3-yl]methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione
CID 176808605
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-[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-[6-oxo-1'-[(3-pyridin-3-ylphenyl)methyl]spiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione
CID 169201252
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-[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-[1'-[(4,4-difluorocyclohexyl)methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione?
The IUPAC name of 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) is 3-[1'-[(4,4-difluorocyclohexyl)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-[1'-[(4,4-difluorocyclohexyl)methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[1'-[(4,4-difluorocyclohexyl)methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3c(ccc4c3OCC43CCN(CC4CCC(F)(F)CC4)CC3)C2=O)C(=O)N1.
What is the InChIKey of 3-[1'-[(4,4-difluorocyclohexyl)methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione?
The InChIKey is QLHCKMGMZFTRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31F2N3O4/c27-26(28)7-5-16(6-8-26)13-30-11-9-25(10-12-30)15-35-22-18-14-31(20-3-4-21(32)29-23(20)33)24(34)17(18)1-2-19(22)25/h1-2,16,20H,3-15H2,(H,29,32,33).
What are the key properties of 3-[1'-[(4,4-difluorocyclohexyl)methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione?
3-[1'-[(4,4-difluorocyclohexyl)methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione has a molecular weight of 487.55 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1'-[(4,4-difluorocyclohexyl)methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione is sourced from PubChem (CID 169201245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).