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

C15H18FNO3 — CID 79432033

IUPAC4-ethyl-3-(3-fluorophenyl)-4-(methoxymethyl)piperidine-2,6-dione
SMILESCCC1(COC)CC(=O)NC(=O)C1c1cccc(F)c1
InChIInChI=1S/C15H18FNO3/c1-3-15(9-20-2)8-12(18)17-14(19)13(15)10-5-4-6-11(16)7-10/h4-7,13H,3,8-9H2,1-2H3,(H,17,18,19)
InChIKeyVKOXVEAJYRLFEZ-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.00
Rot. Bonds4

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

4-ethyl-3-(3-fluorophenyl)-4-(methoxymethyl)piperidine-2,6-dione (PubChem CID 79432033) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is 4-ethyl-3-(3-fluorophenyl)-4-(methoxymethyl)piperidine-2,6-dione.

Molecular Properties

Compound Name4-ethyl-3-(3-fluorophenyl)-4-(methoxymethyl)piperidine-2,6-dione
PubChem CID79432033
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Name4-ethyl-3-(3-fluorophenyl)-4-(methoxymethyl)piperidine-2,6-dione
SMILESCCC1(COC)CC(=O)NC(=O)C1c1cccc(F)c1
InChIInChI=1S/C15H18FNO3/c1-3-15(9-20-2)8-12(18)17-14(19)13(15)10-5-4-6-11(16)7-10/h4-7,13H,3,8-9H2,1-2H3,(H,17,18,19)
InChIKeyVKOXVEAJYRLFEZ-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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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-(3-fluorophenyl)-4-(methoxymethyl)piperidine-2,6-dione?
The IUPAC name of 4-ethyl-3-(3-fluorophenyl)-4-(methoxymethyl)piperidine-2,6-dione (CID 79432033) is 4-ethyl-3-(3-fluorophenyl)-4-(methoxymethyl)piperidine-2,6-dione.
What is the SMILES notation for 4-ethyl-3-(3-fluorophenyl)-4-(methoxymethyl)piperidine-2,6-dione?
The canonical SMILES for 4-ethyl-3-(3-fluorophenyl)-4-(methoxymethyl)piperidine-2,6-dione is CCC1(COC)CC(=O)NC(=O)C1c1cccc(F)c1.
What is the InChIKey of 4-ethyl-3-(3-fluorophenyl)-4-(methoxymethyl)piperidine-2,6-dione?
The InChIKey is VKOXVEAJYRLFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3/c1-3-15(9-20-2)8-12(18)17-14(19)13(15)10-5-4-6-11(16)7-10/h4-7,13H,3,8-9H2,1-2H3,(H,17,18,19).
What are the key properties of 4-ethyl-3-(3-fluorophenyl)-4-(methoxymethyl)piperidine-2,6-dione?
4-ethyl-3-(3-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-(3-fluorophenyl)-4-(methoxymethyl)piperidine-2,6-dione is sourced from PubChem (CID 79432033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).