3-(5-fluoro-1,3-dihydroisoindol-2-yl)-1-methoxypiperidine-2,6-dione

C14H15FN2O3 — CID 170566104

IUPAC3-(5-fluoro-1,3-dihydroisoindol-2-yl)-1-methoxypiperidine-2,6-dione
SMILESCON1C(=O)CCC(N2Cc3ccc(F)cc3C2)C1=O
InChIInChI=1S/C14H15FN2O3/c1-20-17-13(18)5-4-12(14(17)19)16-7-9-2-3-11(15)6-10(9)8-16/h2-3,6,12H,4-5,7-8H2,1H3
InChIKeyKWPBDMJUTJWDEA-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.22
Rot. Bonds2

About 3-(5-fluoro-1,3-dihydroisoindol-2-yl)-1-methoxypiperidine-2,6-dione

3-(5-fluoro-1,3-dihydroisoindol-2-yl)-1-methoxypiperidine-2,6-dione (PubChem CID 170566104) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is 3-(5-fluoro-1,3-dihydroisoindol-2-yl)-1-methoxypiperidine-2,6-dione.

Molecular Properties

Compound Name3-(5-fluoro-1,3-dihydroisoindol-2-yl)-1-methoxypiperidine-2,6-dione
PubChem CID170566104
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC Name3-(5-fluoro-1,3-dihydroisoindol-2-yl)-1-methoxypiperidine-2,6-dione
SMILESCON1C(=O)CCC(N2Cc3ccc(F)cc3C2)C1=O
InChIInChI=1S/C14H15FN2O3/c1-20-17-13(18)5-4-12(14(17)19)16-7-9-2-3-11(15)6-10(9)8-16/h2-3,6,12H,4-5,7-8H2,1H3
InChIKeyKWPBDMJUTJWDEA-UHFFFAOYSA-N
XLogP1.22
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-1-methoxypiperidine-2,6-dione
CID 167136496
3-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-1-(1-methylpyrazol-4-yl)piperidin-2-one
CID 126769234
[3-(6-fluoro-3-oxo-1H-isoindol-2-yl)-2,6-dioxopiperidin-1-yl]methyl 2-methoxyethyl carbonate
CID 164846631
3-[(5-fluoro-1,3-dihydroisoindol-2-yl)sulfonyl]-4-methoxyaniline
CID 156859799
5-fluoro-1-methoxy-2,3-dihydroindole
CID 18711708
3-fluoro-6,7-dimethoxy-9,12,13,13a-tetrahydrophenanthro[9,10-f]indolizine-11,14-dione
CID 163640797
6-fluoro-2,3,3a,4-tetrahydropyrrolo[1,2-a]indol-1-one
CID 121223710
5-fluoro-N-methyl-1,3-dihydroisoindole-2-carboxamide
CID 175773475
3-(7-fluoro-4H-quinazolin-3-yl)piperidine-2,6-dione
CID 10125318
(3,5-dimethoxyphenyl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 646590
3-[5-(aminomethyl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 171058791
3-(7-fluoro-4H-quinazolin-3-yl)-1-(piperidin-1-ylmethyl)piperidine-2,6-dione
CID 10286914

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-1,3-dihydroisoindol-2-yl)-1-methoxypiperidine-2,6-dione?
The IUPAC name of 3-(5-fluoro-1,3-dihydroisoindol-2-yl)-1-methoxypiperidine-2,6-dione (CID 170566104) is 3-(5-fluoro-1,3-dihydroisoindol-2-yl)-1-methoxypiperidine-2,6-dione.
What is the SMILES notation for 3-(5-fluoro-1,3-dihydroisoindol-2-yl)-1-methoxypiperidine-2,6-dione?
The canonical SMILES for 3-(5-fluoro-1,3-dihydroisoindol-2-yl)-1-methoxypiperidine-2,6-dione is CON1C(=O)CCC(N2Cc3ccc(F)cc3C2)C1=O.
What is the InChIKey of 3-(5-fluoro-1,3-dihydroisoindol-2-yl)-1-methoxypiperidine-2,6-dione?
The InChIKey is KWPBDMJUTJWDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3/c1-20-17-13(18)5-4-12(14(17)19)16-7-9-2-3-11(15)6-10(9)8-16/h2-3,6,12H,4-5,7-8H2,1H3.
What are the key properties of 3-(5-fluoro-1,3-dihydroisoindol-2-yl)-1-methoxypiperidine-2,6-dione?
3-(5-fluoro-1,3-dihydroisoindol-2-yl)-1-methoxypiperidine-2,6-dione has a molecular weight of 278.28 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-1,3-dihydroisoindol-2-yl)-1-methoxypiperidine-2,6-dione is sourced from PubChem (CID 170566104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).