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

C17H22FNO2 — CID 118738962

IUPAC1-(1-ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethanone
SMILESCCOC1CC2(CCN(C(C)=O)CC2)c2cc(F)ccc21
InChIInChI=1S/C17H22FNO2/c1-3-21-16-11-17(6-8-19(9-7-17)12(2)20)15-10-13(18)4-5-14(15)16/h4-5,10,16H,3,6-9,11H2,1-2H3
InChIKeyHCCQWWAEQQWDCO-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.19
Rot. Bonds2

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

1-(1-ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethanone (PubChem CID 118738962) has the molecular formula C17H22FNO2 and a molecular weight of 291.37 g/mol. Its IUPAC name is 1-(1-ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethanone.

Molecular Properties

Compound Name1-(1-ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethanone
PubChem CID118738962
Molecular FormulaC17H22FNO2
Molecular Weight291.37 g/mol
Exact Mass291.16
IUPAC Name1-(1-ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethanone
SMILESCCOC1CC2(CCN(C(C)=O)CC2)c2cc(F)ccc21
InChIInChI=1S/C17H22FNO2/c1-3-21-16-11-17(6-8-19(9-7-17)12(2)20)15-10-13(18)4-5-14(15)16/h4-5,10,16H,3,6-9,11H2,1-2H3
InChIKeyHCCQWWAEQQWDCO-UHFFFAOYSA-N
XLogP3.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-{2-[(4-Fluorophenyl)methoxy]ethyl}piperidin-1-YL)-3,3-dimethylbutan-1-one
CID 53150603
1-(4-{2-[(4-Fluorobenzyl)oxy]ethyl}piperidino)-2,2-dimethyl-1-butanone
CID 53150606
N-cyclohexyl-2-({5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-4H-1,2,4-triazol-3-yl}thio)acetamide
CID 53150610
1-(4-{2-[(3-Fluorobenzyl)oxy]ethyl}piperidino)-3,3-dimethyl-1-butanone
CID 53150622
N-(3-chloro-4-methoxyphenyl)-4-(1H-1,2,4-triazol-1-ylmethyl)benzamide
CID 53150636
1-[4-[2-[(3-Fluorophenyl)methoxy]ethyl]piperidin-1-yl]ethanone
CID 53150653
1-[4-[2-[(2-Fluorophenyl)methoxy]ethyl]piperidin-1-yl]-2,2-dimethylbutan-1-one
CID 53150667
1-[4-[2-[(2-Fluorophenyl)methoxy]ethyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 53150671
1-(4-{2-[(2-Fluorobenzyl)oxy]ethyl}piperidino)-1-ethanone
CID 53150676
(2R*,3R*)-1'-(2-ethylbutanoyl)-3-methoxy-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol
CID 56897251
1-(1-Ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone
CID 118738956
1-(5-Fluoro-1-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone
CID 118738957

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethanone?
The IUPAC name of 1-(1-ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethanone (CID 118738962) is 1-(1-ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethanone.
What is the SMILES notation for 1-(1-ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethanone?
The canonical SMILES for 1-(1-ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethanone is CCOC1CC2(CCN(C(C)=O)CC2)c2cc(F)ccc21.
What is the InChIKey of 1-(1-ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethanone?
The InChIKey is HCCQWWAEQQWDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO2/c1-3-21-16-11-17(6-8-19(9-7-17)12(2)20)15-10-13(18)4-5-14(15)16/h4-5,10,16H,3,6-9,11H2,1-2H3.
What are the key properties of 1-(1-ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethanone?
1-(1-ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethanone has a molecular weight of 291.37 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 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)ethanone is sourced from PubChem (CID 118738962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).