5-[1-[[4-(difluoromethyl)phenyl]methyl]-4-hydroxypiperidin-4-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C26H25F2N3O5 — CID 166105835

IUPAC5-[1-[[4-(difluoromethyl)phenyl]methyl]-4-hydroxypiperidin-4-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccc(C4(O)CCN(Cc5ccc(C(F)F)cc5)CC4)cc3C2=O)C(=O)N1
InChIInChI=1S/C26H25F2N3O5/c27-22(28)16-3-1-15(2-4-16)14-30-11-9-26(36,10-12-30)17-5-6-18-19(13-17)25(35)31(24(18)34)20-7-8-21(32)29-23(20)33/h1-6,13,20,22,36H,7-12,14H2,(H,29,32,33)
InChIKeyFJIGUUPUKBSPGO-UHFFFAOYSA-N
MW497.50 g/mol
LogP2.51
Rot. Bonds5

About 5-[1-[[4-(difluoromethyl)phenyl]methyl]-4-hydroxypiperidin-4-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

5-[1-[[4-(difluoromethyl)phenyl]methyl]-4-hydroxypiperidin-4-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 166105835) has the molecular formula C26H25F2N3O5 and a molecular weight of 497.50 g/mol. Its IUPAC name is 5-[1-[[4-(difluoromethyl)phenyl]methyl]-4-hydroxypiperidin-4-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-[1-[[4-(difluoromethyl)phenyl]methyl]-4-hydroxypiperidin-4-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID166105835
Molecular FormulaC26H25F2N3O5
Molecular Weight497.50 g/mol
Exact Mass497.18
IUPAC Name5-[1-[[4-(difluoromethyl)phenyl]methyl]-4-hydroxypiperidin-4-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccc(C4(O)CCN(Cc5ccc(C(F)F)cc5)CC4)cc3C2=O)C(=O)N1
InChIInChI=1S/C26H25F2N3O5/c27-22(28)16-3-1-15(2-4-16)14-30-11-9-26(36,10-12-30)17-5-6-18-19(13-17)25(35)31(24(18)34)20-7-8-21(32)29-23(20)33/h1-6,13,20,22,36H,7-12,14H2,(H,29,32,33)
InChIKeyFJIGUUPUKBSPGO-UHFFFAOYSA-N
XLogP2.51
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.50
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[1-[[4-(difluoromethyl)phenyl]methyl]-4-hydroxypiperidin-4-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-yl]isoindole-1,3-dione
CID 166105885
2-(2,6-dioxopiperidin-3-yl)-5-[1-[(3-fluoro-4-methylphenyl)methyl]-4-hydroxypiperidin-4-yl]isoindole-1,3-dione
CID 166105729
2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-(1H-indol-5-ylmethyl)piperidin-4-yl]isoindole-1,3-dione
CID 166105733
5-[1-[[4-(difluoromethoxy)phenyl]methyl]-4-hydroxypiperidin-4-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
CID 174262156
5-[1-[[3-(1-aminoethenyl)phenyl]methyl]-4-hydroxypiperidin-4-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 166105754
2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-[(3-methyl-4-oxoquinazolin-6-yl)methyl]piperidin-4-yl]isoindole-1,3-dione
CID 166105752
2-(2,6-dioxopiperidin-3-yl)-5-(4-hydroxypiperidin-4-yl)isoindole-1,3-dione;hydrochloride
CID 170694198
2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]isoindole-1,3-dione
CID 166105732
2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-(pyrazolo[1,5-a]pyridin-4-ylmethyl)piperidin-4-yl]isoindole-1,3-dione
CID 171763144
5-(1-benzyl-4-hydroxy-2-methylpiperidin-4-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride
CID 170694205
3-[6-[1-[(4-chlorophenyl)methyl]-4-hydroxypiperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167293520
3-[6-[4-hydroxy-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167293540

Frequently Asked Questions

What is the IUPAC name of 5-[1-[[4-(difluoromethyl)phenyl]methyl]-4-hydroxypiperidin-4-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 5-[1-[[4-(difluoromethyl)phenyl]methyl]-4-hydroxypiperidin-4-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 166105835) is 5-[1-[[4-(difluoromethyl)phenyl]methyl]-4-hydroxypiperidin-4-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 5-[1-[[4-(difluoromethyl)phenyl]methyl]-4-hydroxypiperidin-4-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 5-[1-[[4-(difluoromethyl)phenyl]methyl]-4-hydroxypiperidin-4-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is O=C1CCC(N2C(=O)c3ccc(C4(O)CCN(Cc5ccc(C(F)F)cc5)CC4)cc3C2=O)C(=O)N1.
What is the InChIKey of 5-[1-[[4-(difluoromethyl)phenyl]methyl]-4-hydroxypiperidin-4-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is FJIGUUPUKBSPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2N3O5/c27-22(28)16-3-1-15(2-4-16)14-30-11-9-26(36,10-12-30)17-5-6-18-19(13-17)25(35)31(24(18)34)20-7-8-21(32)29-23(20)33/h1-6,13,20,22,36H,7-12,14H2,(H,29,32,33).
What are the key properties of 5-[1-[[4-(difluoromethyl)phenyl]methyl]-4-hydroxypiperidin-4-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
5-[1-[[4-(difluoromethyl)phenyl]methyl]-4-hydroxypiperidin-4-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 497.50 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[[4-(difluoromethyl)phenyl]methyl]-4-hydroxypiperidin-4-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 166105835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).