3-ethyl-4-(3-fluorophenyl)piperidine-2,6-dione

C13H14FNO2 — CID 79320869

IUPAC3-ethyl-4-(3-fluorophenyl)piperidine-2,6-dione
SMILESCCC1C(=O)NC(=O)CC1c1cccc(F)c1
InChIInChI=1S/C13H14FNO2/c1-2-10-11(7-12(16)15-13(10)17)8-4-3-5-9(14)6-8/h3-6,10-11H,2,7H2,1H3,(H,15,16,17)
InChIKeyLEHPVUOAEVROBX-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.98
Rot. Bonds2

About 3-ethyl-4-(3-fluorophenyl)piperidine-2,6-dione

3-ethyl-4-(3-fluorophenyl)piperidine-2,6-dione (PubChem CID 79320869) has the molecular formula C13H14FNO2 and a molecular weight of 235.26 g/mol. Its IUPAC name is 3-ethyl-4-(3-fluorophenyl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-ethyl-4-(3-fluorophenyl)piperidine-2,6-dione
PubChem CID79320869
Molecular FormulaC13H14FNO2
Molecular Weight235.26 g/mol
Exact Mass235.10
IUPAC Name3-ethyl-4-(3-fluorophenyl)piperidine-2,6-dione
SMILESCCC1C(=O)NC(=O)CC1c1cccc(F)c1
InChIInChI=1S/C13H14FNO2/c1-2-10-11(7-12(16)15-13(10)17)8-4-3-5-9(14)6-8/h3-6,10-11H,2,7H2,1H3,(H,15,16,17)
InChIKeyLEHPVUOAEVROBX-UHFFFAOYSA-N
XLogP1.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(3-fluorophenyl)piperidine-2,6-dione?
The IUPAC name of 3-ethyl-4-(3-fluorophenyl)piperidine-2,6-dione (CID 79320869) is 3-ethyl-4-(3-fluorophenyl)piperidine-2,6-dione.
What is the SMILES notation for 3-ethyl-4-(3-fluorophenyl)piperidine-2,6-dione?
The canonical SMILES for 3-ethyl-4-(3-fluorophenyl)piperidine-2,6-dione is CCC1C(=O)NC(=O)CC1c1cccc(F)c1.
What is the InChIKey of 3-ethyl-4-(3-fluorophenyl)piperidine-2,6-dione?
The InChIKey is LEHPVUOAEVROBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2/c1-2-10-11(7-12(16)15-13(10)17)8-4-3-5-9(14)6-8/h3-6,10-11H,2,7H2,1H3,(H,15,16,17).
What are the key properties of 3-ethyl-4-(3-fluorophenyl)piperidine-2,6-dione?
3-ethyl-4-(3-fluorophenyl)piperidine-2,6-dione has a molecular weight of 235.26 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(3-fluorophenyl)piperidine-2,6-dione is sourced from PubChem (CID 79320869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).