5-fluoro-2-(6-methylidene-2-oxopiperidin-3-yl)-6-(2-methylpropyl)isoindole-1,3-dione

C18H19FN2O3 — CID 174121381

IUPAC5-fluoro-2-(6-methylidene-2-oxopiperidin-3-yl)-6-(2-methylpropyl)isoindole-1,3-dione
SMILESC=C1CCC(N2C(=O)c3cc(F)c(CC(C)C)cc3C2=O)C(=O)N1
InChIInChI=1S/C18H19FN2O3/c1-9(2)6-11-7-12-13(8-14(11)19)18(24)21(17(12)23)15-5-4-10(3)20-16(15)22/h7-9,15H,3-6H2,1-2H3,(H,20,22)
InChIKeyQOSYDTRDRWIWPY-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.41
Rot. Bonds3

About 5-fluoro-2-(6-methylidene-2-oxopiperidin-3-yl)-6-(2-methylpropyl)isoindole-1,3-dione

5-fluoro-2-(6-methylidene-2-oxopiperidin-3-yl)-6-(2-methylpropyl)isoindole-1,3-dione (PubChem CID 174121381) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is 5-fluoro-2-(6-methylidene-2-oxopiperidin-3-yl)-6-(2-methylpropyl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-fluoro-2-(6-methylidene-2-oxopiperidin-3-yl)-6-(2-methylpropyl)isoindole-1,3-dione
PubChem CID174121381
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name5-fluoro-2-(6-methylidene-2-oxopiperidin-3-yl)-6-(2-methylpropyl)isoindole-1,3-dione
SMILESC=C1CCC(N2C(=O)c3cc(F)c(CC(C)C)cc3C2=O)C(=O)N1
InChIInChI=1S/C18H19FN2O3/c1-9(2)6-11-7-12-13(8-14(11)19)18(24)21(17(12)23)15-5-4-10(3)20-16(15)22/h7-9,15H,3-6H2,1-2H3,(H,20,22)
InChIKeyQOSYDTRDRWIWPY-UHFFFAOYSA-N
XLogP2.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-(6-methylidene-2-oxopiperidin-3-yl)-6-(4-propan-2-ylpiperazin-1-yl)isoindole-1,3-dione
CID 174121383
5-(bromomethyl)-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione
CID 168871458
2-[(3R)-2,6-dioxopiperidin-3-yl]-5-fluoro-6-propan-2-ylisoindole-1,3-dione
CID 167278640
5-hydroxy-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
CID 142596962
5-amino-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
CID 118527125
2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-(1-iodoethyl)isoindole-1,3-dione
CID 174269765
2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-(2,2,5-trimethylhexylamino)isoindole-1,3-dione
CID 167513345
2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-(methylamino)isoindole-1,3-dione
CID 167088360
4-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
CID 145202026
2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-(4-propan-2-ylpiperazin-1-yl)isoindole-1,3-dione
CID 163269333
(3Z,7E)-3-ethyl-4-fluoro-1-(6-methylidene-2-oxopiperidin-3-yl)-5,6-dihydroazonine-2,9-dione
CID 170055868
2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]isoindole-1,3-dione
CID 162439055

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(6-methylidene-2-oxopiperidin-3-yl)-6-(2-methylpropyl)isoindole-1,3-dione?
The IUPAC name of 5-fluoro-2-(6-methylidene-2-oxopiperidin-3-yl)-6-(2-methylpropyl)isoindole-1,3-dione (CID 174121381) is 5-fluoro-2-(6-methylidene-2-oxopiperidin-3-yl)-6-(2-methylpropyl)isoindole-1,3-dione.
What is the SMILES notation for 5-fluoro-2-(6-methylidene-2-oxopiperidin-3-yl)-6-(2-methylpropyl)isoindole-1,3-dione?
The canonical SMILES for 5-fluoro-2-(6-methylidene-2-oxopiperidin-3-yl)-6-(2-methylpropyl)isoindole-1,3-dione is C=C1CCC(N2C(=O)c3cc(F)c(CC(C)C)cc3C2=O)C(=O)N1.
What is the InChIKey of 5-fluoro-2-(6-methylidene-2-oxopiperidin-3-yl)-6-(2-methylpropyl)isoindole-1,3-dione?
The InChIKey is QOSYDTRDRWIWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-9(2)6-11-7-12-13(8-14(11)19)18(24)21(17(12)23)15-5-4-10(3)20-16(15)22/h7-9,15H,3-6H2,1-2H3,(H,20,22).
What are the key properties of 5-fluoro-2-(6-methylidene-2-oxopiperidin-3-yl)-6-(2-methylpropyl)isoindole-1,3-dione?
5-fluoro-2-(6-methylidene-2-oxopiperidin-3-yl)-6-(2-methylpropyl)isoindole-1,3-dione has a molecular weight of 330.36 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(6-methylidene-2-oxopiperidin-3-yl)-6-(2-methylpropyl)isoindole-1,3-dione is sourced from PubChem (CID 174121381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).