2-(2,6-dioxopiperidin-3-yl)-4-fluoro-5-(1-hydroxycyclohexyl)isoindole-1,3-dione

C19H19FN2O5 — CID 175628192

IUPAC2-(2,6-dioxopiperidin-3-yl)-4-fluoro-5-(1-hydroxycyclohexyl)isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccc(C4(O)CCCCC4)c(F)c3C2=O)C(=O)N1
InChIInChI=1S/C19H19FN2O5/c20-15-11(19(27)8-2-1-3-9-19)5-4-10-14(15)18(26)22(17(10)25)12-6-7-13(23)21-16(12)24/h4-5,12,27H,1-3,6-9H2,(H,21,23,24)
InChIKeyYEZXSKOAZGGXLG-UHFFFAOYSA-N
MW374.37 g/mol
LogP1.38
Rot. Bonds2

About 2-(2,6-dioxopiperidin-3-yl)-4-fluoro-5-(1-hydroxycyclohexyl)isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-4-fluoro-5-(1-hydroxycyclohexyl)isoindole-1,3-dione (PubChem CID 175628192) has the molecular formula C19H19FN2O5 and a molecular weight of 374.37 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-4-fluoro-5-(1-hydroxycyclohexyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-4-fluoro-5-(1-hydroxycyclohexyl)isoindole-1,3-dione
PubChem CID175628192
Molecular FormulaC19H19FN2O5
Molecular Weight374.37 g/mol
Exact Mass374.13
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-4-fluoro-5-(1-hydroxycyclohexyl)isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccc(C4(O)CCCCC4)c(F)c3C2=O)C(=O)N1
InChIInChI=1S/C19H19FN2O5/c20-15-11(19(27)8-2-1-3-9-19)5-4-10-14(15)18(26)22(17(10)25)12-6-7-13(23)21-16(12)24/h4-5,12,27H,1-3,6-9H2,(H,21,23,24)
InChIKeyYEZXSKOAZGGXLG-UHFFFAOYSA-N
XLogP1.38
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 51.38
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)-4-fluoro-5-(1-hydroxycyclohexyl)isoindole-1,3-dione with MolForge

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Related Compounds

4-(aminomethyl)-2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione
CID 168872411
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
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 71499176
2-(2,6-dioxopiperidin-3-yl)-6-fluoro-4-methylisoindole-1,3-dione
CID 131999739
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;dihydrate
CID 135349767
4-cyclopentyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 146547456
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
4-(cyclohexylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 146870687
2-(2,6-dioxopiperidin-3-yl)-5-(4-hydroxypiperidin-4-yl)isoindole-1,3-dione;hydrochloride
CID 170694198
2-(2,6-dioxopiperidin-3-yl)-4-[[[1-(piperazine-1-carbonyl)cyclohexyl]amino]methyl]isoindole-1,3-dione
CID 167736049

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-fluoro-5-(1-hydroxycyclohexyl)isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-fluoro-5-(1-hydroxycyclohexyl)isoindole-1,3-dione (CID 175628192) is 2-(2,6-dioxopiperidin-3-yl)-4-fluoro-5-(1-hydroxycyclohexyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-4-fluoro-5-(1-hydroxycyclohexyl)isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-4-fluoro-5-(1-hydroxycyclohexyl)isoindole-1,3-dione is O=C1CCC(N2C(=O)c3ccc(C4(O)CCCCC4)c(F)c3C2=O)C(=O)N1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-4-fluoro-5-(1-hydroxycyclohexyl)isoindole-1,3-dione?
The InChIKey is YEZXSKOAZGGXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O5/c20-15-11(19(27)8-2-1-3-9-19)5-4-10-14(15)18(26)22(17(10)25)12-6-7-13(23)21-16(12)24/h4-5,12,27H,1-3,6-9H2,(H,21,23,24).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-4-fluoro-5-(1-hydroxycyclohexyl)isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-4-fluoro-5-(1-hydroxycyclohexyl)isoindole-1,3-dione has a molecular weight of 374.37 g/mol, XLogP of 1.38, 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)-4-fluoro-5-(1-hydroxycyclohexyl)isoindole-1,3-dione is sourced from PubChem (CID 175628192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).