2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-piperidin-4-ylisoindole-1,3-dione

C18H18FN3O4 — CID 170313071

IUPAC2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-piperidin-4-ylisoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3cc(F)c(C4CCNCC4)cc3C2=O)C(=O)N1
InChIInChI=1S/C18H18FN3O4/c19-13-8-12-11(7-10(13)9-3-5-20-6-4-9)17(25)22(18(12)26)14-1-2-15(23)21-16(14)24/h7-9,14,20H,1-6H2,(H,21,23,24)
InChIKeyQNOOWQFPGVKIDL-UHFFFAOYSA-N
MW359.36 g/mol
LogP0.69
Rot. Bonds2

About 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-piperidin-4-ylisoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-piperidin-4-ylisoindole-1,3-dione (PubChem CID 170313071) has the molecular formula C18H18FN3O4 and a molecular weight of 359.36 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-piperidin-4-ylisoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-piperidin-4-ylisoindole-1,3-dione
PubChem CID170313071
Molecular FormulaC18H18FN3O4
Molecular Weight359.36 g/mol
Exact Mass359.13
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-piperidin-4-ylisoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3cc(F)c(C4CCNCC4)cc3C2=O)C(=O)N1
InChIInChI=1S/C18H18FN3O4/c19-13-8-12-11(7-10(13)9-3-5-20-6-4-9)17(25)22(18(12)26)14-1-2-15(23)21-16(14)24/h7-9,14,20H,1-6H2,(H,21,23,24)
InChIKeyQNOOWQFPGVKIDL-UHFFFAOYSA-N
XLogP0.69
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-piperidin-4-ylisoindole-1,3-dione with MolForge

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Launch Full Analysis

Related Compounds

3-(5-fluoro-3-oxo-6-piperidin-4-yl-1H-isoindol-2-yl)piperidine-2,6-dione;hydrochloride
CID 156787370
2-(2,6-dioxopiperidin-3-yl)-5-piperidin-4-ylisoindole-1,3-dione;ethane
CID 142367515
2-[(3R)-2,6-dioxopiperidin-3-yl]-5-fluoro-6-propan-2-ylisoindole-1,3-dione
CID 167278640
5-(bromomethyl)-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione
CID 168871458
2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-(methylamino)isoindole-1,3-dione
CID 167088360
2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[methyl(piperidin-4-ylmethyl)amino]isoindole-1,3-dione;hydrochloride
CID 171705568
2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-(1-iodoethyl)isoindole-1,3-dione
CID 174269765
5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione
CID 155218611
2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[(2S)-2-methylpiperazin-1-yl]isoindole-1,3-dione
CID 171158274
2-(2,6-dioxopiperidin-3-yl)-5-[[(4-piperidin-4-yl-1H-pyrazol-5-yl)amino]methyl]isoindole-1,3-dione
CID 167741770
2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]isoindole-1,3-dione
CID 175661175
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-piperidin-4-ylisoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-piperidin-4-ylisoindole-1,3-dione (CID 170313071) is 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-piperidin-4-ylisoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-piperidin-4-ylisoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-piperidin-4-ylisoindole-1,3-dione is O=C1CCC(N2C(=O)c3cc(F)c(C4CCNCC4)cc3C2=O)C(=O)N1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-piperidin-4-ylisoindole-1,3-dione?
The InChIKey is QNOOWQFPGVKIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O4/c19-13-8-12-11(7-10(13)9-3-5-20-6-4-9)17(25)22(18(12)26)14-1-2-15(23)21-16(14)24/h7-9,14,20H,1-6H2,(H,21,23,24).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-piperidin-4-ylisoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-piperidin-4-ylisoindole-1,3-dione has a molecular weight of 359.36 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-piperidin-4-ylisoindole-1,3-dione is sourced from PubChem (CID 170313071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).