3-(4-ethyl-5-fluoro-2-methoxyanilino)piperidine-2,6-dione

C14H17FN2O3 — CID 170749804

IUPAC3-(4-ethyl-5-fluoro-2-methoxyanilino)piperidine-2,6-dione
SMILESCCc1cc(OC)c(NC2CCC(=O)NC2=O)cc1F
InChIInChI=1S/C14H17FN2O3/c1-3-8-6-12(20-2)11(7-9(8)15)16-10-4-5-13(18)17-14(10)19/h6-7,10,16H,3-5H2,1-2H3,(H,17,18,19)
InChIKeyNMOBCMITEXDWKL-UHFFFAOYSA-N
MW280.30 g/mol
LogP1.61
Rot. Bonds4

About 3-(4-ethyl-5-fluoro-2-methoxyanilino)piperidine-2,6-dione

3-(4-ethyl-5-fluoro-2-methoxyanilino)piperidine-2,6-dione (PubChem CID 170749804) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 3-(4-ethyl-5-fluoro-2-methoxyanilino)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(4-ethyl-5-fluoro-2-methoxyanilino)piperidine-2,6-dione
PubChem CID170749804
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name3-(4-ethyl-5-fluoro-2-methoxyanilino)piperidine-2,6-dione
SMILESCCc1cc(OC)c(NC2CCC(=O)NC2=O)cc1F
InChIInChI=1S/C14H17FN2O3/c1-3-8-6-12(20-2)11(7-9(8)15)16-10-4-5-13(18)17-14(10)19/h6-7,10,16H,3-5H2,1-2H3,(H,17,18,19)
InChIKeyNMOBCMITEXDWKL-UHFFFAOYSA-N
XLogP1.61
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(4-ethyl-5-fluoro-2-methoxyanilino)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

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-5-fluoro-2-methoxyanilino)piperidine-2,6-dione?
The IUPAC name of 3-(4-ethyl-5-fluoro-2-methoxyanilino)piperidine-2,6-dione (CID 170749804) is 3-(4-ethyl-5-fluoro-2-methoxyanilino)piperidine-2,6-dione.
What is the SMILES notation for 3-(4-ethyl-5-fluoro-2-methoxyanilino)piperidine-2,6-dione?
The canonical SMILES for 3-(4-ethyl-5-fluoro-2-methoxyanilino)piperidine-2,6-dione is CCc1cc(OC)c(NC2CCC(=O)NC2=O)cc1F.
What is the InChIKey of 3-(4-ethyl-5-fluoro-2-methoxyanilino)piperidine-2,6-dione?
The InChIKey is NMOBCMITEXDWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-3-8-6-12(20-2)11(7-9(8)15)16-10-4-5-13(18)17-14(10)19/h6-7,10,16H,3-5H2,1-2H3,(H,17,18,19).
What are the key properties of 3-(4-ethyl-5-fluoro-2-methoxyanilino)piperidine-2,6-dione?
3-(4-ethyl-5-fluoro-2-methoxyanilino)piperidine-2,6-dione has a molecular weight of 280.30 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-5-fluoro-2-methoxyanilino)piperidine-2,6-dione is sourced from PubChem (CID 170749804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).