3-[(3-fluorocyclohexa-1,3,4,5-tetraen-1-yl)amino]piperidine-2,6-dione

C11H9FN2O2 — CID 176967670

IUPAC3-[(3-fluorocyclohexa-1,3,4,5-tetraen-1-yl)amino]piperidine-2,6-dione
SMILESO=C1CCC(NC2=CC(F)=C=C=C2)C(=O)N1
InChIInChI=1S/C11H9FN2O2/c12-7-2-1-3-8(6-7)13-9-4-5-10(15)14-11(9)16/h3,6,9,13H,4-5H2,(H,14,15,16)
InChIKeyHMGZPFPVMHQUTR-UHFFFAOYSA-N
MW220.20 g/mol
LogP0.44
Rot. Bonds2

About 3-[(3-fluorocyclohexa-1,3,4,5-tetraen-1-yl)amino]piperidine-2,6-dione

3-[(3-fluorocyclohexa-1,3,4,5-tetraen-1-yl)amino]piperidine-2,6-dione (PubChem CID 176967670) has the molecular formula C11H9FN2O2 and a molecular weight of 220.20 g/mol. Its IUPAC name is 3-[(3-fluorocyclohexa-1,3,4,5-tetraen-1-yl)amino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(3-fluorocyclohexa-1,3,4,5-tetraen-1-yl)amino]piperidine-2,6-dione
PubChem CID176967670
Molecular FormulaC11H9FN2O2
Molecular Weight220.20 g/mol
Exact Mass220.06
IUPAC Name3-[(3-fluorocyclohexa-1,3,4,5-tetraen-1-yl)amino]piperidine-2,6-dione
SMILESO=C1CCC(NC2=CC(F)=C=C=C2)C(=O)N1
InChIInChI=1S/C11H9FN2O2/c12-7-2-1-3-8(6-7)13-9-4-5-10(15)14-11(9)16/h3,6,9,13H,4-5H2,(H,14,15,16)
InChIKeyHMGZPFPVMHQUTR-UHFFFAOYSA-N
XLogP0.44
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(3-fluorocyclohexa-1,3,4,5-tetraen-1-yl)amino]piperidine-2,6-dione with MolForge

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Related Compounds

3-(2,5-difluoroanilino)piperidine-2,6-dione
CID 170749830
3-[(5-fluoro-3-pyridinyl)amino]piperidine-2,6-dione
CID 166472267
3-(4-ethyl-2,5-difluoroanilino)piperidine-2,6-dione
CID 176683649
3-(4-bromo-2-fluoroanilino)piperidine-2,6-dione
CID 172609781
potassium 3-(anilino)piperidine-2,6-dione
CID 169190282
[5-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]carbamic acid
CID 154941373
ethane;ethene;3-(2-fluoroanilino)piperidine-2,6-dione;molecular hydrogen
CID 176683577
3-(2-amino-4-bromo-5-fluoroanilino)piperidine-2,6-dione
CID 66110561
3-[4-(3-oxocyclobutyl)anilino]piperidine-2,6-dione
CID 166522118
3-[4-(ethylamino)anilino]piperidine-2,6-dione
CID 166729742
3-(4-ethynylanilino)piperidine-2,6-dione
CID 170917477
3-(2-fluoro-4-piperidin-4-ylanilino)piperidine-2,6-dione
CID 156505691

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorocyclohexa-1,3,4,5-tetraen-1-yl)amino]piperidine-2,6-dione?
The IUPAC name of 3-[(3-fluorocyclohexa-1,3,4,5-tetraen-1-yl)amino]piperidine-2,6-dione (CID 176967670) is 3-[(3-fluorocyclohexa-1,3,4,5-tetraen-1-yl)amino]piperidine-2,6-dione.
What is the SMILES notation for 3-[(3-fluorocyclohexa-1,3,4,5-tetraen-1-yl)amino]piperidine-2,6-dione?
The canonical SMILES for 3-[(3-fluorocyclohexa-1,3,4,5-tetraen-1-yl)amino]piperidine-2,6-dione is O=C1CCC(NC2=CC(F)=C=C=C2)C(=O)N1.
What is the InChIKey of 3-[(3-fluorocyclohexa-1,3,4,5-tetraen-1-yl)amino]piperidine-2,6-dione?
The InChIKey is HMGZPFPVMHQUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2/c12-7-2-1-3-8(6-7)13-9-4-5-10(15)14-11(9)16/h3,6,9,13H,4-5H2,(H,14,15,16).
What are the key properties of 3-[(3-fluorocyclohexa-1,3,4,5-tetraen-1-yl)amino]piperidine-2,6-dione?
3-[(3-fluorocyclohexa-1,3,4,5-tetraen-1-yl)amino]piperidine-2,6-dione has a molecular weight of 220.20 g/mol, XLogP of 0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorocyclohexa-1,3,4,5-tetraen-1-yl)amino]piperidine-2,6-dione is sourced from PubChem (CID 176967670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).