4-[[4-[[4-(2,4-Difluorophenyl)piperazin-1-yl]methyl]phenyl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C31H28F2N4O5 — CID 156019879

IUPAC4-[[4-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]phenyl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESC1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)OCC4=CC=C(C=C4)CN5CCN(CC5)C6=C(C=C(C=C6)F)F
InChIInChI=1S/C31H28F2N4O5/c32-21-8-9-24(23(33)16-21)36-14-12-35(13-15-36)17-19-4-6-20(7-5-19)18-42-26-3-1-2-22-28(26)31(41)37(30(22)40)25-10-11-27(38)34-29(25)39/h1-9,16,25H,10-15,17-18H2,(H,34,38,39)
InChIKeyWFFXSERDNVLVGO-UHFFFAOYSA-N
MW574.60 g/mol
LogP3.20
Rot. Bonds7

About 4-[[4-[[4-(2,4-Difluorophenyl)piperazin-1-yl]methyl]phenyl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

4-[[4-[[4-(2,4-Difluorophenyl)piperazin-1-yl]methyl]phenyl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 156019879) has the molecular formula C31H28F2N4O5 and a molecular weight of 574.60 g/mol. Its IUPAC name is 4-[[4-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]phenyl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-[[4-[[4-(2,4-Difluorophenyl)piperazin-1-yl]methyl]phenyl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID156019879
Molecular FormulaC31H28F2N4O5
Molecular Weight574.60 g/mol
Exact Mass574.20
IUPAC Name4-[[4-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]phenyl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESC1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)OCC4=CC=C(C=C4)CN5CCN(CC5)C6=C(C=C(C=C6)F)F
InChIInChI=1S/C31H28F2N4O5/c32-21-8-9-24(23(33)16-21)36-14-12-35(13-15-36)17-19-4-6-20(7-5-19)18-42-26-3-1-2-22-28(26)31(41)37(30(22)40)25-10-11-27(38)34-29(25)39/h1-9,16,25H,10-15,17-18H2,(H,34,38,39)
InChIKeyWFFXSERDNVLVGO-UHFFFAOYSA-N
XLogP3.20
TPSA99.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms42
Complexity1030

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500574.60
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 4-[[4-[[4-(2,4-Difluorophenyl)piperazin-1-yl]methyl]phenyl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione with MolForge

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Related Compounds

Iberdomide
CID 67335295
Mezigdomide
CID 137379043
3-[7-[[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 53353229
3-[7-[[4-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 53353320
3-[3-oxo-7-[[4-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 53353322
3-[7-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 53353412
3-[3-oxo-7-[[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 53353508
3-[7-[[4-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 58389169
3-[3-oxo-7-[[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 67332604
3-[7-[[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 67334108
3-[3-oxo-7-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 67334867
4-(4-{[4-({[2-(2,6-dioxopiperidin-3-yl)-1-oxo-2,3-dihydro-1H-isoindol-4-yl]oxy}methyl)phenyl]methyl}piperazin-1-yl)-3-fluorobenzonitrile
CID 137379028

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[[4-(2,4-Difluorophenyl)piperazin-1-yl]methyl]phenyl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 4-[[4-[[4-(2,4-Difluorophenyl)piperazin-1-yl]methyl]phenyl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 156019879) is 4-[[4-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]phenyl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 4-[[4-[[4-(2,4-Difluorophenyl)piperazin-1-yl]methyl]phenyl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 4-[[4-[[4-(2,4-Difluorophenyl)piperazin-1-yl]methyl]phenyl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)OCC4=CC=C(C=C4)CN5CCN(CC5)C6=C(C=C(C=C6)F)F.
What is the InChIKey of 4-[[4-[[4-(2,4-Difluorophenyl)piperazin-1-yl]methyl]phenyl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is WFFXSERDNVLVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28F2N4O5/c32-21-8-9-24(23(33)16-21)36-14-12-35(13-15-36)17-19-4-6-20(7-5-19)18-42-26-3-1-2-22-28(26)31(41)37(30(22)40)25-10-11-27(38)34-29(25)39/h1-9,16,25H,10-15,17-18H2,(H,34,38,39).
What are the key properties of 4-[[4-[[4-(2,4-Difluorophenyl)piperazin-1-yl]methyl]phenyl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
4-[[4-[[4-(2,4-Difluorophenyl)piperazin-1-yl]methyl]phenyl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 574.60 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[[4-(2,4-Difluorophenyl)piperazin-1-yl]methyl]phenyl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 156019879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).