3-(7-fluoro-1-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione

C14H13FN2O3 — CID 176695414

IUPAC3-(7-fluoro-1-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESCC1c2c(F)cccc2C(=O)N1C1CCC(=O)NC1=O
InChIInChI=1S/C14H13FN2O3/c1-7-12-8(3-2-4-9(12)15)14(20)17(7)10-5-6-11(18)16-13(10)19/h2-4,7,10H,5-6H2,1H3,(H,16,18,19)
InChIKeyUAFSXNFQBGZXPG-UHFFFAOYSA-N
MW276.27 g/mol
LogP1.15
Rot. Bonds1

About 3-(7-fluoro-1-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione

3-(7-fluoro-1-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione (PubChem CID 176695414) has the molecular formula C14H13FN2O3 and a molecular weight of 276.27 g/mol. Its IUPAC name is 3-(7-fluoro-1-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(7-fluoro-1-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
PubChem CID176695414
Molecular FormulaC14H13FN2O3
Molecular Weight276.27 g/mol
Exact Mass276.09
IUPAC Name3-(7-fluoro-1-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESCC1c2c(F)cccc2C(=O)N1C1CCC(=O)NC1=O
InChIInChI=1S/C14H13FN2O3/c1-7-12-8(3-2-4-9(12)15)14(20)17(7)10-5-6-11(18)16-13(10)19/h2-4,7,10H,5-6H2,1H3,(H,16,18,19)
InChIKeyUAFSXNFQBGZXPG-UHFFFAOYSA-N
XLogP1.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 51.15
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

3-(4-iodo-1-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 156528333
3-[1-(aminomethyl)-7-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;hydrochloride
CID 175281806
3-(5-methoxy-1-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 139483267
3-(1-hydroxy-3-oxo-7-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167190475
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
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
3-[7-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-hydroxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155020267
3-(1-methyl-3-oxo-6-propan-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 163222672
2-(2,6-dioxopiperidin-3-yl)-4-methylsulfonylisoindole-1,3-dione
CID 150998829
3-[(1R)-7-fluoro-1-methyl-6-[(2R)-2-methyl-4-(3-piperidin-4-yloxycyclobutyl)piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171723136

Frequently Asked Questions

What is the IUPAC name of 3-(7-fluoro-1-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-(7-fluoro-1-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione (CID 176695414) is 3-(7-fluoro-1-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(7-fluoro-1-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(7-fluoro-1-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione is CC1c2c(F)cccc2C(=O)N1C1CCC(=O)NC1=O.
What is the InChIKey of 3-(7-fluoro-1-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The InChIKey is UAFSXNFQBGZXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3/c1-7-12-8(3-2-4-9(12)15)14(20)17(7)10-5-6-11(18)16-13(10)19/h2-4,7,10H,5-6H2,1H3,(H,16,18,19).
What are the key properties of 3-(7-fluoro-1-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
3-(7-fluoro-1-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione has a molecular weight of 276.27 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-fluoro-1-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 176695414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).