3-[5-(aminomethyl)-4-fluoro-7-methyl-3-oxo-6,7-dihydro-1H-isoindol-2-yl]piperidine-2,6-dione

C15H18FN3O3 — CID 176717740

IUPAC3-[5-(aminomethyl)-4-fluoro-7-methyl-3-oxo-6,7-dihydro-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCC1CC(CN)=C(F)C2=C1CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C15H18FN3O3/c1-7-4-8(5-17)13(16)12-9(7)6-19(15(12)22)10-2-3-11(20)18-14(10)21/h7,10H,2-6,17H2,1H3,(H,18,20,21)
InChIKeyGKGADLGBHNZBCV-UHFFFAOYSA-N
MW307.33 g/mol
LogP0.15
Rot. Bonds2

About 3-[5-(aminomethyl)-4-fluoro-7-methyl-3-oxo-6,7-dihydro-1H-isoindol-2-yl]piperidine-2,6-dione

3-[5-(aminomethyl)-4-fluoro-7-methyl-3-oxo-6,7-dihydro-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 176717740) has the molecular formula C15H18FN3O3 and a molecular weight of 307.33 g/mol. Its IUPAC name is 3-[5-(aminomethyl)-4-fluoro-7-methyl-3-oxo-6,7-dihydro-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[5-(aminomethyl)-4-fluoro-7-methyl-3-oxo-6,7-dihydro-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID176717740
Molecular FormulaC15H18FN3O3
Molecular Weight307.33 g/mol
Exact Mass307.13
IUPAC Name3-[5-(aminomethyl)-4-fluoro-7-methyl-3-oxo-6,7-dihydro-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCC1CC(CN)=C(F)C2=C1CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C15H18FN3O3/c1-7-4-8(5-17)13(16)12-9(7)6-19(15(12)22)10-2-3-11(20)18-14(10)21/h7,10H,2-6,17H2,1H3,(H,18,20,21)
InChIKeyGKGADLGBHNZBCV-UHFFFAOYSA-N
XLogP0.15
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[5-(aminomethyl)-4-fluoro-7-methyl-3-oxo-6,7-dihydro-1H-isoindol-2-yl]piperidine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-3-(3-oxo-7,7a-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione
CID 141245440
3-[3-[(Z)-but-2-en-2-yl]-4-(1-fluoroethenyl)-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione
CID 142305955
2-(2,6-Dioxopiperidin-3-yl)-7-fluoro-4,5-dihydroisoindole-1,3-dione
CID 147507530
2-(2,6-Dioxopiperidin-3-yl)-5-fluoro-3a,4-dihydroisoindole-1,3-dione
CID 155677796
3-(6-fluoro-7-methyl-3-oxo-3a,7a-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione
CID 166683056
2-(2,6-Dioxopiperidin-3-yl)-7-fluoro-3a,4-dihydroisoindole-1,3-dione
CID 169634189
(E,4R)-N-(2,6-dioxopiperidin-3-yl)-4-fluoro-2,3-dimethylpent-2-enamide
CID 169647556
3-[(6S)-5-fluoro-7-iodo-6-methyl-3-oxo-6,7-dihydro-1H-isoindol-2-yl]piperidine-2,6-dione
CID 169909942
N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3a,4-dihydro-3H-isoindol-5-yl]methyl]-6-(trifluoromethyl)cyclohexa-1,2,5-triene-1-carboxamide
CID 176541740
3-(6-amino-7-fluoro-3-oxo-4,5-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione
CID 176565032
2-(2,6-Dioxopiperidin-3-yl)-6-fluoro-3a,4-dihydroisoindole-1,3-dione
CID 176695473
N-(2,6-dioxopiperidin-3-yl)-3-fluoro-4-methylcyclohepta-1,6-diene-1-carboxamide
CID 156866620

Frequently Asked Questions

What is the IUPAC name of 3-[5-(aminomethyl)-4-fluoro-7-methyl-3-oxo-6,7-dihydro-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[5-(aminomethyl)-4-fluoro-7-methyl-3-oxo-6,7-dihydro-1H-isoindol-2-yl]piperidine-2,6-dione (CID 176717740) is 3-[5-(aminomethyl)-4-fluoro-7-methyl-3-oxo-6,7-dihydro-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[5-(aminomethyl)-4-fluoro-7-methyl-3-oxo-6,7-dihydro-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[5-(aminomethyl)-4-fluoro-7-methyl-3-oxo-6,7-dihydro-1H-isoindol-2-yl]piperidine-2,6-dione is CC1CC(CN)=C(F)C2=C1CN(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 3-[5-(aminomethyl)-4-fluoro-7-methyl-3-oxo-6,7-dihydro-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is GKGADLGBHNZBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O3/c1-7-4-8(5-17)13(16)12-9(7)6-19(15(12)22)10-2-3-11(20)18-14(10)21/h7,10H,2-6,17H2,1H3,(H,18,20,21).
What are the key properties of 3-[5-(aminomethyl)-4-fluoro-7-methyl-3-oxo-6,7-dihydro-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[5-(aminomethyl)-4-fluoro-7-methyl-3-oxo-6,7-dihydro-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 307.33 g/mol, XLogP of 0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(aminomethyl)-4-fluoro-7-methyl-3-oxo-6,7-dihydro-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 176717740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).