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

C16H20FNO2 — CID 97449372

IUPAC1-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone
SMILESCOCC(=O)N1CCC2(CCc3ccc(F)cc32)CC1
InChIInChI=1S/C16H20FNO2/c1-20-11-15(19)18-8-6-16(7-9-18)5-4-12-2-3-13(17)10-14(12)16/h2-3,10H,4-9,11H2,1H3
InChIKeyKORNUFLXZZIYPP-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.28
Rot. Bonds2

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

1-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone (PubChem CID 97449372) has the molecular formula C16H20FNO2 and a molecular weight of 277.34 g/mol. Its IUPAC name is 1-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone.

Molecular Properties

Compound Name1-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone
PubChem CID97449372
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC Name1-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone
SMILESCOCC(=O)N1CCC2(CCc3ccc(F)cc32)CC1
InChIInChI=1S/C16H20FNO2/c1-20-11-15(19)18-8-6-16(7-9-18)5-4-12-2-3-13(17)10-14(12)16/h2-3,10H,4-9,11H2,1H3
InChIKeyKORNUFLXZZIYPP-UHFFFAOYSA-N
XLogP2.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 97504321
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CID 118739125
CID 118740890
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CID 45191172
CID 45191172
CID 45193292
CID 45193292
CID 97385356
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CID 118741577
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CID 125129983
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CID 126432653
CID 126432653

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone?
The IUPAC name of 1-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone (CID 97449372) is 1-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone.
What is the SMILES notation for 1-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone?
The canonical SMILES for 1-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone is COCC(=O)N1CCC2(CCc3ccc(F)cc32)CC1.
What is the InChIKey of 1-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone?
The InChIKey is KORNUFLXZZIYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO2/c1-20-11-15(19)18-8-6-16(7-9-18)5-4-12-2-3-13(17)10-14(12)16/h2-3,10H,4-9,11H2,1H3.
What are the key properties of 1-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone?
1-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone has a molecular weight of 277.34 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone is sourced from PubChem (CID 97449372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).