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

C17H22FNO3 — CID 118738957

IUPAC1-(5-fluoro-1-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone
SMILESCOCC(=O)N1CCC2(CC1)CC(OC)c1ccc(F)cc12
InChIInChI=1S/C17H22FNO3/c1-21-11-16(20)19-7-5-17(6-8-19)10-15(22-2)13-4-3-12(18)9-14(13)17/h3-4,9,15H,5-8,10-11H2,1-2H3
InChIKeyXIRHNSKDBBWNLD-UHFFFAOYSA-N
MW307.37 g/mol
LogP2.42
Rot. Bonds3

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

1-(5-fluoro-1-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone (PubChem CID 118738957) has the molecular formula C17H22FNO3 and a molecular weight of 307.37 g/mol. Its IUPAC name is 1-(5-fluoro-1-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone.

Molecular Properties

Compound Name1-(5-fluoro-1-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone
PubChem CID118738957
Molecular FormulaC17H22FNO3
Molecular Weight307.37 g/mol
Exact Mass307.16
IUPAC Name1-(5-fluoro-1-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone
SMILESCOCC(=O)N1CCC2(CC1)CC(OC)c1ccc(F)cc12
InChIInChI=1S/C17H22FNO3/c1-21-11-16(20)19-7-5-17(6-8-19)10-15(22-2)13-4-3-12(18)9-14(13)17/h3-4,9,15H,5-8,10-11H2,1-2H3
InChIKeyXIRHNSKDBBWNLD-UHFFFAOYSA-N
XLogP2.42
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone?
The IUPAC name of 1-(5-fluoro-1-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone (CID 118738957) is 1-(5-fluoro-1-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone.
What is the SMILES notation for 1-(5-fluoro-1-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone?
The canonical SMILES for 1-(5-fluoro-1-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone is COCC(=O)N1CCC2(CC1)CC(OC)c1ccc(F)cc12.
What is the InChIKey of 1-(5-fluoro-1-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone?
The InChIKey is XIRHNSKDBBWNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO3/c1-21-11-16(20)19-7-5-17(6-8-19)10-15(22-2)13-4-3-12(18)9-14(13)17/h3-4,9,15H,5-8,10-11H2,1-2H3.
What are the key properties of 1-(5-fluoro-1-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone?
1-(5-fluoro-1-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone has a molecular weight of 307.37 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone is sourced from PubChem (CID 118738957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).