3-fluoro-4-[2-oxo-2-(4-oxopiperidin-1-yl)ethoxy]benzaldehyde

C14H14FNO4 — CID 107691958

IUPAC3-fluoro-4-[2-oxo-2-(4-oxopiperidin-1-yl)ethoxy]benzaldehyde
SMILESO=Cc1ccc(OCC(=O)N2CCC(=O)CC2)c(F)c1
InChIInChI=1S/C14H14FNO4/c15-12-7-10(8-17)1-2-13(12)20-9-14(19)16-5-3-11(18)4-6-16/h1-2,7-8H,3-6,9H2
InChIKeyKQEWNYFTVDUKFA-UHFFFAOYSA-N
MW279.27 g/mol
LogP1.21
Rot. Bonds4

About 3-fluoro-4-[2-oxo-2-(4-oxopiperidin-1-yl)ethoxy]benzaldehyde

3-fluoro-4-[2-oxo-2-(4-oxopiperidin-1-yl)ethoxy]benzaldehyde (PubChem CID 107691958) has the molecular formula C14H14FNO4 and a molecular weight of 279.27 g/mol. Its IUPAC name is 3-fluoro-4-[2-oxo-2-(4-oxopiperidin-1-yl)ethoxy]benzaldehyde.

Molecular Properties

Compound Name3-fluoro-4-[2-oxo-2-(4-oxopiperidin-1-yl)ethoxy]benzaldehyde
PubChem CID107691958
Molecular FormulaC14H14FNO4
Molecular Weight279.27 g/mol
Exact Mass279.09
IUPAC Name3-fluoro-4-[2-oxo-2-(4-oxopiperidin-1-yl)ethoxy]benzaldehyde
SMILESO=Cc1ccc(OCC(=O)N2CCC(=O)CC2)c(F)c1
InChIInChI=1S/C14H14FNO4/c15-12-7-10(8-17)1-2-13(12)20-9-14(19)16-5-3-11(18)4-6-16/h1-2,7-8H,3-6,9H2
InChIKeyKQEWNYFTVDUKFA-UHFFFAOYSA-N
XLogP1.21
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-4-(2-oxo-2-piperidin-1-ylethoxy)benzaldehyde
CID 103850091
3-fluoro-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]benzaldehyde
CID 107689650
3-fluoro-4-(4-hydroxybutoxy)benzaldehyde
CID 107689660
2-(2-fluoro-4-formylphenoxy)-N,N-dimethylacetamide
CID 103850142
1-(azetidin-1-yl)-2-(4-bromo-2-fluorophenoxy)ethanone
CID 78799892
3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde
CID 4288065
3-fluoro-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]benzoic acid
CID 107689861
2-(2,4-difluorophenoxy)-1-morpholin-4-ylethanone
CID 17190869
2-(4-amino-2-fluorophenoxy)-1-(azepan-1-yl)ethanone
CID 43259286
2-(2-fluoro-4-formylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 113338147
2-(2,4-difluorophenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 17193919
1-[4-[2-(2,4-difluorophenoxy)acetyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 55596207

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[2-oxo-2-(4-oxopiperidin-1-yl)ethoxy]benzaldehyde?
The IUPAC name of 3-fluoro-4-[2-oxo-2-(4-oxopiperidin-1-yl)ethoxy]benzaldehyde (CID 107691958) is 3-fluoro-4-[2-oxo-2-(4-oxopiperidin-1-yl)ethoxy]benzaldehyde.
What is the SMILES notation for 3-fluoro-4-[2-oxo-2-(4-oxopiperidin-1-yl)ethoxy]benzaldehyde?
The canonical SMILES for 3-fluoro-4-[2-oxo-2-(4-oxopiperidin-1-yl)ethoxy]benzaldehyde is O=Cc1ccc(OCC(=O)N2CCC(=O)CC2)c(F)c1.
What is the InChIKey of 3-fluoro-4-[2-oxo-2-(4-oxopiperidin-1-yl)ethoxy]benzaldehyde?
The InChIKey is KQEWNYFTVDUKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO4/c15-12-7-10(8-17)1-2-13(12)20-9-14(19)16-5-3-11(18)4-6-16/h1-2,7-8H,3-6,9H2.
What are the key properties of 3-fluoro-4-[2-oxo-2-(4-oxopiperidin-1-yl)ethoxy]benzaldehyde?
3-fluoro-4-[2-oxo-2-(4-oxopiperidin-1-yl)ethoxy]benzaldehyde has a molecular weight of 279.27 g/mol, XLogP of 1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[2-oxo-2-(4-oxopiperidin-1-yl)ethoxy]benzaldehyde is sourced from PubChem (CID 107691958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).