2-(2,6-dioxopiperidin-3-yl)-4-[1-[2-(2-fluorophenyl)acetyl]-3,6-dihydro-2H-pyridin-4-yl]isoindole-1,3-dione

C26H22FN3O5 — CID 175654914

IUPAC2-(2,6-dioxopiperidin-3-yl)-4-[1-[2-(2-fluorophenyl)acetyl]-3,6-dihydro-2H-pyridin-4-yl]isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3cccc(C4=CCN(C(=O)Cc5ccccc5F)CC4)c3C2=O)C(=O)N1
InChIInChI=1S/C26H22FN3O5/c27-19-7-2-1-4-16(19)14-22(32)29-12-10-15(11-13-29)17-5-3-6-18-23(17)26(35)30(25(18)34)20-8-9-21(31)28-24(20)33/h1-7,10,20H,8-9,11-14H2,(H,28,31,33)
InChIKeyMMQZICDCIQNJFZ-UHFFFAOYSA-N
MW475.48 g/mol
LogP2.09
Rot. Bonds4

About 2-(2,6-dioxopiperidin-3-yl)-4-[1-[2-(2-fluorophenyl)acetyl]-3,6-dihydro-2H-pyridin-4-yl]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-4-[1-[2-(2-fluorophenyl)acetyl]-3,6-dihydro-2H-pyridin-4-yl]isoindole-1,3-dione (PubChem CID 175654914) has the molecular formula C26H22FN3O5 and a molecular weight of 475.48 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-4-[1-[2-(2-fluorophenyl)acetyl]-3,6-dihydro-2H-pyridin-4-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-4-[1-[2-(2-fluorophenyl)acetyl]-3,6-dihydro-2H-pyridin-4-yl]isoindole-1,3-dione
PubChem CID175654914
Molecular FormulaC26H22FN3O5
Molecular Weight475.48 g/mol
Exact Mass475.15
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-4-[1-[2-(2-fluorophenyl)acetyl]-3,6-dihydro-2H-pyridin-4-yl]isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3cccc(C4=CCN(C(=O)Cc5ccccc5F)CC4)c3C2=O)C(=O)N1
InChIInChI=1S/C26H22FN3O5/c27-19-7-2-1-4-16(19)14-22(32)29-12-10-15(11-13-29)17-5-3-6-18-23(17)26(35)30(25(18)34)20-8-9-21(31)28-24(20)33/h1-7,10,20H,8-9,11-14H2,(H,28,31,33)
InChIKeyMMQZICDCIQNJFZ-UHFFFAOYSA-N
XLogP2.09
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.48
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(chloromethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 168870811
N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]cyclopropanecarboxamide
CID 10155135
N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]-2-fluoro-4-methylbenzamide
CID 58827351
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 71499176
4-(11-aminoundecyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 160780057
2-(2,6-dioxopiperidin-3-yl)-4-[3-[[4-(2-fluorobenzoyl)piperazin-1-yl]methyl]phenyl]isoindole-1,3-dione
CID 175656034
1-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]-3-ethyl-1-methylurea
CID 24896343
4-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 154670467
tert-butyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]piperidine-1-carboxylate
CID 162482506
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[1-[2-(2-fluorophenyl)acetyl]-3,6-dihydro-2H-pyridin-4-yl]isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[1-[2-(2-fluorophenyl)acetyl]-3,6-dihydro-2H-pyridin-4-yl]isoindole-1,3-dione (CID 175654914) is 2-(2,6-dioxopiperidin-3-yl)-4-[1-[2-(2-fluorophenyl)acetyl]-3,6-dihydro-2H-pyridin-4-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-4-[1-[2-(2-fluorophenyl)acetyl]-3,6-dihydro-2H-pyridin-4-yl]isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-4-[1-[2-(2-fluorophenyl)acetyl]-3,6-dihydro-2H-pyridin-4-yl]isoindole-1,3-dione is O=C1CCC(N2C(=O)c3cccc(C4=CCN(C(=O)Cc5ccccc5F)CC4)c3C2=O)C(=O)N1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-4-[1-[2-(2-fluorophenyl)acetyl]-3,6-dihydro-2H-pyridin-4-yl]isoindole-1,3-dione?
The InChIKey is MMQZICDCIQNJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN3O5/c27-19-7-2-1-4-16(19)14-22(32)29-12-10-15(11-13-29)17-5-3-6-18-23(17)26(35)30(25(18)34)20-8-9-21(31)28-24(20)33/h1-7,10,20H,8-9,11-14H2,(H,28,31,33).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-4-[1-[2-(2-fluorophenyl)acetyl]-3,6-dihydro-2H-pyridin-4-yl]isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-4-[1-[2-(2-fluorophenyl)acetyl]-3,6-dihydro-2H-pyridin-4-yl]isoindole-1,3-dione has a molecular weight of 475.48 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-4-[1-[2-(2-fluorophenyl)acetyl]-3,6-dihydro-2H-pyridin-4-yl]isoindole-1,3-dione is sourced from PubChem (CID 175654914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).