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

C15H18FNO3 — CID 79454730

IUPAC4-ethyl-3-(2-fluorophenyl)-4-(methoxymethyl)piperidine-2,6-dione
SMILESCCC1(COC)CC(=O)NC(=O)C1c1ccccc1F
InChIInChI=1S/C15H18FNO3/c1-3-15(9-20-2)8-12(18)17-14(19)13(15)10-6-4-5-7-11(10)16/h4-7,13H,3,8-9H2,1-2H3,(H,17,18,19)
InChIKeyRNDZKSHLZDDOHR-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.00
Rot. Bonds4

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

4-ethyl-3-(2-fluorophenyl)-4-(methoxymethyl)piperidine-2,6-dione (PubChem CID 79454730) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is 4-ethyl-3-(2-fluorophenyl)-4-(methoxymethyl)piperidine-2,6-dione.

Molecular Properties

Compound Name4-ethyl-3-(2-fluorophenyl)-4-(methoxymethyl)piperidine-2,6-dione
PubChem CID79454730
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Name4-ethyl-3-(2-fluorophenyl)-4-(methoxymethyl)piperidine-2,6-dione
SMILESCCC1(COC)CC(=O)NC(=O)C1c1ccccc1F
InChIInChI=1S/C15H18FNO3/c1-3-15(9-20-2)8-12(18)17-14(19)13(15)10-6-4-5-7-11(10)16/h4-7,13H,3,8-9H2,1-2H3,(H,17,18,19)
InChIKeyRNDZKSHLZDDOHR-UHFFFAOYSA-N
XLogP2.00
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-4-(methoxymethyl)-3-(4-methylphenyl)piperidine-2,6-dione
CID 79435875
3-(3-chlorophenyl)-4-ethyl-4-(methoxymethyl)piperidine-2,6-dione
CID 79432286
3-(2-fluorophenyl)-4-methyl-4-(2-methylpropyl)piperidine-2,6-dione
CID 79454418
5-(2-fluorophenyl)-11-methyl-3-azaspiro[5.5]undecane-2,4-dione
CID 79437502
5-(2-fluorophenyl)-10-oxa-3-azaspiro[5.6]dodecane-2,4-dione
CID 79437498
4,4-diethyl-3-(3-methylphenyl)piperidine-2,6-dione
CID 79437017
4,4-dimethyl-3-(2-methylphenyl)piperidine-2,6-dione
CID 79418120
3-(2-chlorophenyl)-4-methyl-4-propylpiperidine-2,6-dione
CID 79454345
3-(9H-fluoren-9-yl)-3-methoxypyrrolidine-2,5-dione
CID 174491073
4-methyl-3-(2-methylphenyl)-4-pentylpiperidine-2,6-dione
CID 80558882
ethane;3-fluoro-6-(2-fluorophenyl)piperidin-2-one
CID 145079036
2-(2-fluorophenyl)-3-(1-methoxybutan-2-yl)imidazolidin-4-one
CID 83259041

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-(2-fluorophenyl)-4-(methoxymethyl)piperidine-2,6-dione?
The IUPAC name of 4-ethyl-3-(2-fluorophenyl)-4-(methoxymethyl)piperidine-2,6-dione (CID 79454730) is 4-ethyl-3-(2-fluorophenyl)-4-(methoxymethyl)piperidine-2,6-dione.
What is the SMILES notation for 4-ethyl-3-(2-fluorophenyl)-4-(methoxymethyl)piperidine-2,6-dione?
The canonical SMILES for 4-ethyl-3-(2-fluorophenyl)-4-(methoxymethyl)piperidine-2,6-dione is CCC1(COC)CC(=O)NC(=O)C1c1ccccc1F.
What is the InChIKey of 4-ethyl-3-(2-fluorophenyl)-4-(methoxymethyl)piperidine-2,6-dione?
The InChIKey is RNDZKSHLZDDOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3/c1-3-15(9-20-2)8-12(18)17-14(19)13(15)10-6-4-5-7-11(10)16/h4-7,13H,3,8-9H2,1-2H3,(H,17,18,19).
What are the key properties of 4-ethyl-3-(2-fluorophenyl)-4-(methoxymethyl)piperidine-2,6-dione?
4-ethyl-3-(2-fluorophenyl)-4-(methoxymethyl)piperidine-2,6-dione has a molecular weight of 279.31 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(2-fluorophenyl)-4-(methoxymethyl)piperidine-2,6-dione is sourced from PubChem (CID 79454730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).