3-(2-fluorophenyl)-1-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]propan-1-one

C18H24FNO3 — CID 110159674

IUPAC3-(2-fluorophenyl)-1-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]propan-1-one
SMILESCO[C@H]1CCN(C(=O)CCc2ccccc2F)C[C@@]12CCCO2
InChIInChI=1S/C18H24FNO3/c1-22-16-9-11-20(13-18(16)10-4-12-23-18)17(21)8-7-14-5-2-3-6-15(14)19/h2-3,5-6,16H,4,7-13H2,1H3/t16-,18-/m0/s1
InChIKeyFPTQXYGOUQEVDR-WMZOPIPTSA-N
MW321.39 g/mol
LogP2.55
Rot. Bonds4

About 3-(2-fluorophenyl)-1-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]propan-1-one

3-(2-fluorophenyl)-1-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]propan-1-one (PubChem CID 110159674) has the molecular formula C18H24FNO3 and a molecular weight of 321.39 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-1-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-fluorophenyl)-1-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]propan-1-one
PubChem CID110159674
Molecular FormulaC18H24FNO3
Molecular Weight321.39 g/mol
Exact Mass321.17
IUPAC Name3-(2-fluorophenyl)-1-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]propan-1-one
SMILESCO[C@H]1CCN(C(=O)CCc2ccccc2F)C[C@@]12CCCO2
InChIInChI=1S/C18H24FNO3/c1-22-16-9-11-20(13-18(16)10-4-12-23-18)17(21)8-7-14-5-2-3-6-15(14)19/h2-3,5-6,16H,4,7-13H2,1H3/t16-,18-/m0/s1
InChIKeyFPTQXYGOUQEVDR-WMZOPIPTSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-3-[methyl(pyridin-3-ylmethyl)amino]propan-1-one
CID 175654805
1-(4,4-dimethoxypiperidin-1-yl)-3-(2-fluorophenyl)propan-1-one
CID 112534879
1-[4-(azepan-1-yl)piperidin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 110667113
1-[(3S)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 124968832
3-(2-fluorophenyl)-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one
CID 94133767
[2-(dimethylamino)pyrimidin-5-yl]-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 110159672
1-(2,3-dihydroindol-1-yl)-2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
CID 124939634
2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-1-pyrrolidin-1-ylethanone
CID 110159396
1-[4a-(methoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-6-yl]-2-(2-fluorophenyl)ethanone
CID 131653460
[1-(2-fluorophenyl)cyclopropyl]-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 124959803
2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-N-naphthalen-1-ylacetamide
CID 124982967
1-[4-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonane-7-carbonyl]piperidin-1-yl]ethanone
CID 110156724

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-1-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]propan-1-one?
The IUPAC name of 3-(2-fluorophenyl)-1-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]propan-1-one (CID 110159674) is 3-(2-fluorophenyl)-1-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]propan-1-one.
What is the SMILES notation for 3-(2-fluorophenyl)-1-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]propan-1-one?
The canonical SMILES for 3-(2-fluorophenyl)-1-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]propan-1-one is CO[C@H]1CCN(C(=O)CCc2ccccc2F)C[C@@]12CCCO2.
What is the InChIKey of 3-(2-fluorophenyl)-1-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]propan-1-one?
The InChIKey is FPTQXYGOUQEVDR-WMZOPIPTSA-N. The full InChI is InChI=1S/C18H24FNO3/c1-22-16-9-11-20(13-18(16)10-4-12-23-18)17(21)8-7-14-5-2-3-6-15(14)19/h2-3,5-6,16H,4,7-13H2,1H3/t16-,18-/m0/s1.
What are the key properties of 3-(2-fluorophenyl)-1-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]propan-1-one?
3-(2-fluorophenyl)-1-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]propan-1-one has a molecular weight of 321.39 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-1-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]propan-1-one is sourced from PubChem (CID 110159674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).