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

C19H24FN3O4 — CID 169190637

IUPAC3-(7-fluoro-6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;oxan-3-amine
SMILESCc1ccc2c(c1F)CN(C1CCC(=O)NC1=O)C2=O.NC1CCCOC1
InChIInChI=1S/C14H13FN2O3.C5H11NO/c1-7-2-3-8-9(12(7)15)6-17(14(8)20)10-4-5-11(18)16-13(10)19;6-5-2-1-3-7-4-5/h2-3,10H,4-6H2,1H3,(H,16,18,19);5H,1-4,6H2
InChIKeyDOTNIQJIJMABRR-UHFFFAOYSA-N
MW377.42 g/mol
LogP1.02
Rot. Bonds1

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

3-(7-fluoro-6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;oxan-3-amine (PubChem CID 169190637) has the molecular formula C19H24FN3O4 and a molecular weight of 377.42 g/mol. Its IUPAC name is 3-(7-fluoro-6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;oxan-3-amine.

Molecular Properties

Compound Name3-(7-fluoro-6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;oxan-3-amine
PubChem CID169190637
Molecular FormulaC19H24FN3O4
Molecular Weight377.42 g/mol
Exact Mass377.18
IUPAC Name3-(7-fluoro-6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;oxan-3-amine
SMILESCc1ccc2c(c1F)CN(C1CCC(=O)NC1=O)C2=O.NC1CCCOC1
InChIInChI=1S/C14H13FN2O3.C5H11NO/c1-7-2-3-8-9(12(7)15)6-17(14(8)20)10-4-5-11(18)16-13(10)19;6-5-2-1-3-7-4-5/h2-3,10H,4-6H2,1H3,(H,16,18,19);5H,1-4,6H2
InChIKeyDOTNIQJIJMABRR-UHFFFAOYSA-N
XLogP1.02
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(7-fluoro-6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;oxan-3-amine with MolForge

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Launch Full Analysis

Related Compounds

3-[7-fluoro-3-oxo-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 169206578
N-butan-2-ylcyclohexanamine;3-(7-fluoro-6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 169190602
2-[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]acetic acid
CID 176908233
3-(3-oxo-6,7,8,9-tetrahydro-1H-pyrrolo[3,4-f]quinolin-2-yl)piperidine-2,6-dione
CID 166660984
3-[6-(4-cyclohexyloxypiperidin-1-yl)-7-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171641390
3-[6-(4-cyclobutyl-3-methylpiperazin-1-yl)-7-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171847110
3-[7-fluoro-6-[methyl-[(1S)-2-(methylamino)cyclohexyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166865134
(3S)-3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 12044976
(3S)-3-[6-(4-tert-butyl-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl)-7-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 176841571
3-(7-cyclopropyl-4-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167342547
3-[6-[[(2R)-3-[(4,4-difluorocyclohexyl)methylamino]oxan-2-yl]methyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 169190989
3-[7-[(3-aminopiperidin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167728297

Frequently Asked Questions

What is the IUPAC name of 3-(7-fluoro-6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;oxan-3-amine?
The IUPAC name of 3-(7-fluoro-6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;oxan-3-amine (CID 169190637) is 3-(7-fluoro-6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;oxan-3-amine.
What is the SMILES notation for 3-(7-fluoro-6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;oxan-3-amine?
The canonical SMILES for 3-(7-fluoro-6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;oxan-3-amine is Cc1ccc2c(c1F)CN(C1CCC(=O)NC1=O)C2=O.NC1CCCOC1.
What is the InChIKey of 3-(7-fluoro-6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;oxan-3-amine?
The InChIKey is DOTNIQJIJMABRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3.C5H11NO/c1-7-2-3-8-9(12(7)15)6-17(14(8)20)10-4-5-11(18)16-13(10)19;6-5-2-1-3-7-4-5/h2-3,10H,4-6H2,1H3,(H,16,18,19);5H,1-4,6H2.
What are the key properties of 3-(7-fluoro-6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;oxan-3-amine?
3-(7-fluoro-6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;oxan-3-amine has a molecular weight of 377.42 g/mol, XLogP of 1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-fluoro-6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;oxan-3-amine is sourced from PubChem (CID 169190637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).