1-(1-ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone

C18H24FNO3 — CID 118738956

IUPAC1-(1-ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone
SMILESCCOC1CC2(CCN(C(=O)COC)CC2)c2cc(F)ccc21
InChIInChI=1S/C18H24FNO3/c1-3-23-16-11-18(15-10-13(19)4-5-14(15)16)6-8-20(9-7-18)17(21)12-22-2/h4-5,10,16H,3,6-9,11-12H2,1-2H3
InChIKeyUYYGTAYSRCAUBT-UHFFFAOYSA-N
MW321.39 g/mol
LogP2.81
Rot. Bonds4

About 1-(1-ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone

1-(1-ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone (PubChem CID 118738956) has the molecular formula C18H24FNO3 and a molecular weight of 321.39 g/mol. Its IUPAC name is 1-(1-ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone.

Molecular Properties

Compound Name1-(1-ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone
PubChem CID118738956
Molecular FormulaC18H24FNO3
Molecular Weight321.39 g/mol
Exact Mass321.17
IUPAC Name1-(1-ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone
SMILESCCOC1CC2(CCN(C(=O)COC)CC2)c2cc(F)ccc21
InChIInChI=1S/C18H24FNO3/c1-3-23-16-11-18(15-10-13(19)4-5-14(15)16)6-8-20(9-7-18)17(21)12-22-2/h4-5,10,16H,3,6-9,11-12H2,1-2H3
InChIKeyUYYGTAYSRCAUBT-UHFFFAOYSA-N
XLogP2.81
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone?
The IUPAC name of 1-(1-ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone (CID 118738956) is 1-(1-ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone.
What is the SMILES notation for 1-(1-ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone?
The canonical SMILES for 1-(1-ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone is CCOC1CC2(CCN(C(=O)COC)CC2)c2cc(F)ccc21.
What is the InChIKey of 1-(1-ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone?
The InChIKey is UYYGTAYSRCAUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO3/c1-3-23-16-11-18(15-10-13(19)4-5-14(15)16)6-8-20(9-7-18)17(21)12-22-2/h4-5,10,16H,3,6-9,11-12H2,1-2H3.
What are the key properties of 1-(1-ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone?
1-(1-ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone has a molecular weight of 321.39 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone is sourced from PubChem (CID 118738956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).