3-(1,1-dideuterio-6-fluoro-5-methyl-3-oxoisoindol-2-yl)piperidine-2,6-dione

C14H13FN2O3 — CID 164846453

IUPAC3-(1,1-dideuterio-6-fluoro-5-methyl-3-oxoisoindol-2-yl)piperidine-2,6-dione
SMILES[2H]C1([2H])c2cc(F)c(C)cc2C(=O)N1C1CCC(=O)NC1=O
InChIInChI=1S/C14H13FN2O3/c1-7-4-9-8(5-10(7)15)6-17(14(9)20)11-2-3-12(18)16-13(11)19/h4-5,11H,2-3,6H2,1H3,(H,16,18,19)/i6D2
InChIKeyMIBRMKCSTOGXOZ-NCYHJHSESA-N
MW278.28 g/mol
LogP0.90
Rot. Bonds1

About 3-(1,1-dideuterio-6-fluoro-5-methyl-3-oxoisoindol-2-yl)piperidine-2,6-dione

3-(1,1-dideuterio-6-fluoro-5-methyl-3-oxoisoindol-2-yl)piperidine-2,6-dione (PubChem CID 164846453) has the molecular formula C14H13FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is 3-(1,1-dideuterio-6-fluoro-5-methyl-3-oxoisoindol-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(1,1-dideuterio-6-fluoro-5-methyl-3-oxoisoindol-2-yl)piperidine-2,6-dione
PubChem CID164846453
Molecular FormulaC14H13FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.10
IUPAC Name3-(1,1-dideuterio-6-fluoro-5-methyl-3-oxoisoindol-2-yl)piperidine-2,6-dione
SMILES[2H]C1([2H])c2cc(F)c(C)cc2C(=O)N1C1CCC(=O)NC1=O
InChIInChI=1S/C14H13FN2O3/c1-7-4-9-8(5-10(7)15)6-17(14(9)20)11-2-3-12(18)16-13(11)19/h4-5,11H,2-3,6H2,1H3,(H,16,18,19)/i6D2
InChIKeyMIBRMKCSTOGXOZ-NCYHJHSESA-N
XLogP0.90
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(1,1-dideuterio-6-fluoro-5-methyl-3-oxoisoindol-2-yl)piperidine-2,6-dione with MolForge

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Launch Full Analysis

Related Compounds

3-[5-(dimethylamino)-6-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155296849
ethane;3-(5-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 155599247
3-(6-ethyl-5-fluoro-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2-methylpropane
CID 170639310
[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] N-(3-fluoro-4-methylphenyl)-N-methylcarbamate
CID 170781368
2-(4-chlorophenyl)-N-deuterio-N-[[3,3-dideuterio-2-(2,6-dioxopiperidin-3-yl)-1-oxoisoindol-5-yl]methyl]-2,2-difluoroacetamide
CID 156628905
3-[5-fluoro-6-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 169309648
3-(5-fluoro-3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;hydrochloride
CID 155229339
3-(5-fluoro-3-oxo-6-piperidin-4-yl-1H-isoindol-2-yl)piperidine-2,6-dione;hydrochloride
CID 156787370
3-[6-[(1S,2S)-2-aminocyclopentyl]oxy-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 146300290
(3R)-3-(7-amino-1,1,4,5,6-pentadeuterio-3-oxoisoindol-2-yl)piperidine-2,6-dione
CID 140915044
3-[6-[4-(2,6-dimethylphenyl)sulfonylpiperazin-1-yl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 169311161
3-[5-[(2-fluoro-5-methylphenyl)sulfonylmethyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167604449

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dideuterio-6-fluoro-5-methyl-3-oxoisoindol-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-(1,1-dideuterio-6-fluoro-5-methyl-3-oxoisoindol-2-yl)piperidine-2,6-dione (CID 164846453) is 3-(1,1-dideuterio-6-fluoro-5-methyl-3-oxoisoindol-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(1,1-dideuterio-6-fluoro-5-methyl-3-oxoisoindol-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(1,1-dideuterio-6-fluoro-5-methyl-3-oxoisoindol-2-yl)piperidine-2,6-dione is [2H]C1([2H])c2cc(F)c(C)cc2C(=O)N1C1CCC(=O)NC1=O.
What is the InChIKey of 3-(1,1-dideuterio-6-fluoro-5-methyl-3-oxoisoindol-2-yl)piperidine-2,6-dione?
The InChIKey is MIBRMKCSTOGXOZ-NCYHJHSESA-N. The full InChI is InChI=1S/C14H13FN2O3/c1-7-4-9-8(5-10(7)15)6-17(14(9)20)11-2-3-12(18)16-13(11)19/h4-5,11H,2-3,6H2,1H3,(H,16,18,19)/i6D2.
What are the key properties of 3-(1,1-dideuterio-6-fluoro-5-methyl-3-oxoisoindol-2-yl)piperidine-2,6-dione?
3-(1,1-dideuterio-6-fluoro-5-methyl-3-oxoisoindol-2-yl)piperidine-2,6-dione has a molecular weight of 278.28 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dideuterio-6-fluoro-5-methyl-3-oxoisoindol-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 164846453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).