3-[2-(difluoromethoxy)anilino]piperidine-2,6-dione

C12H12F2N2O3 — CID 146573025

IUPAC3-[2-(difluoromethoxy)anilino]piperidine-2,6-dione
SMILESO=C1CCC(Nc2ccccc2OC(F)F)C(=O)N1
InChIInChI=1S/C12H12F2N2O3/c13-12(14)19-9-4-2-1-3-7(9)15-8-5-6-10(17)16-11(8)18/h1-4,8,12,15H,5-6H2,(H,16,17,18)
InChIKeyKUGCVYJNPUYIBZ-UHFFFAOYSA-N
MW270.23 g/mol
LogP1.51
Rot. Bonds4

About 3-[2-(difluoromethoxy)anilino]piperidine-2,6-dione

3-[2-(difluoromethoxy)anilino]piperidine-2,6-dione (PubChem CID 146573025) has the molecular formula C12H12F2N2O3 and a molecular weight of 270.23 g/mol. Its IUPAC name is 3-[2-(difluoromethoxy)anilino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[2-(difluoromethoxy)anilino]piperidine-2,6-dione
PubChem CID146573025
Molecular FormulaC12H12F2N2O3
Molecular Weight270.23 g/mol
Exact Mass270.08
IUPAC Name3-[2-(difluoromethoxy)anilino]piperidine-2,6-dione
SMILESO=C1CCC(Nc2ccccc2OC(F)F)C(=O)N1
InChIInChI=1S/C12H12F2N2O3/c13-12(14)19-9-4-2-1-3-7(9)15-8-5-6-10(17)16-11(8)18/h1-4,8,12,15H,5-6H2,(H,16,17,18)
InChIKeyKUGCVYJNPUYIBZ-UHFFFAOYSA-N
XLogP1.51
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.23
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(difluoromethoxy)anilino]-1,3-dihydroindol-2-one
CID 43202027
3-(2-piperazin-1-ylanilino)piperidine-2,6-dione
CID 168896759
(3S)-3-(3-fluoro-2-piperidin-4-ylanilino)piperidine-2,6-dione;hydrochloride
CID 170728957
3-[(2-amino-3-pyridinyl)amino]piperidine-2,6-dione
CID 104540520
N-[2-(difluoromethoxy)phenyl]thian-4-amine
CID 43511331
3-[2-(difluoromethylsulfanyl)anilino]pyrrolidine-2,5-dione
CID 43637781
3-(2-ethyl-3-propan-2-ylanilino)piperidine-2,6-dione
CID 170953285
3-(5-chloro-2-methoxyanilino)piperidine-2,6-dione
CID 146573113
3-(4-bromo-2-fluoroanilino)piperidine-2,6-dione
CID 172609781
(1R,4S)-N-[2-(difluoromethoxy)phenyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 115400349
3-(4-ethyl-5-fluoro-2-methoxyanilino)piperidine-2,6-dione
CID 170749804
3-(2-methylsulfanylanilino)pyrrolidine-2,5-dione
CID 107644178

Frequently Asked Questions

What is the IUPAC name of 3-[2-(difluoromethoxy)anilino]piperidine-2,6-dione?
The IUPAC name of 3-[2-(difluoromethoxy)anilino]piperidine-2,6-dione (CID 146573025) is 3-[2-(difluoromethoxy)anilino]piperidine-2,6-dione.
What is the SMILES notation for 3-[2-(difluoromethoxy)anilino]piperidine-2,6-dione?
The canonical SMILES for 3-[2-(difluoromethoxy)anilino]piperidine-2,6-dione is O=C1CCC(Nc2ccccc2OC(F)F)C(=O)N1.
What is the InChIKey of 3-[2-(difluoromethoxy)anilino]piperidine-2,6-dione?
The InChIKey is KUGCVYJNPUYIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O3/c13-12(14)19-9-4-2-1-3-7(9)15-8-5-6-10(17)16-11(8)18/h1-4,8,12,15H,5-6H2,(H,16,17,18).
What are the key properties of 3-[2-(difluoromethoxy)anilino]piperidine-2,6-dione?
3-[2-(difluoromethoxy)anilino]piperidine-2,6-dione has a molecular weight of 270.23 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(difluoromethoxy)anilino]piperidine-2,6-dione is sourced from PubChem (CID 146573025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).