2-(4-fluorophenoxy)-1-[3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone

C18H24FNO4 — CID 131651656

IUPAC2-(4-fluorophenoxy)-1-[3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
SMILESCOCC1CC2(CCN(C(=O)COc3ccc(F)cc3)CC2)CO1
InChIInChI=1S/C18H24FNO4/c1-22-11-16-10-18(13-24-16)6-8-20(9-7-18)17(21)12-23-15-4-2-14(19)3-5-15/h2-5,16H,6-13H2,1H3
InChIKeyQSAHGLHBPGPUBZ-UHFFFAOYSA-N
MW337.39 g/mol
LogP2.25
Rot. Bonds5

About 2-(4-fluorophenoxy)-1-[3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone

2-(4-fluorophenoxy)-1-[3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone (PubChem CID 131651656) has the molecular formula C18H24FNO4 and a molecular weight of 337.39 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-1-[3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-1-[3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
PubChem CID131651656
Molecular FormulaC18H24FNO4
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC Name2-(4-fluorophenoxy)-1-[3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
SMILESCOCC1CC2(CCN(C(=O)COc3ccc(F)cc3)CC2)CO1
InChIInChI=1S/C18H24FNO4/c1-22-11-16-10-18(13-24-16)6-8-20(9-7-18)17(21)12-23-15-4-2-14(19)3-5-15/h2-5,16H,6-13H2,1H3
InChIKeyQSAHGLHBPGPUBZ-UHFFFAOYSA-N
XLogP2.25
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3S)-3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-fluorophenoxy)ethanone
CID 97418153
(4-fluoro-2-methylphenyl)-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97418059
1-[(3S)-3-(cyclopropylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-phenoxyethanone
CID 97418240
1-[3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methylphenyl)ethanone
CID 131660419
2-(1,3-benzodioxol-5-yl)-1-[(3S)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 97418077
(2-fluorophenyl)-[(3S)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97418003
2-(2,3-dihydro-1H-inden-2-yl)-1-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 97418076
1-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-methylsulfonylethanone
CID 97485383
(2-chloro-5-methoxyphenyl)-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97418084
1-[3-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methylphenoxy)ethanone
CID 131678605
2-methoxy-1-[(3S)-3-(pyridin-2-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 97418410
1-[3-[[(3S,4R)-3-hydroxy-4-methylpiperidin-1-yl]methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methylphenoxy)ethanone
CID 131678801

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-1-[3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone?
The IUPAC name of 2-(4-fluorophenoxy)-1-[3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone (CID 131651656) is 2-(4-fluorophenoxy)-1-[3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenoxy)-1-[3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenoxy)-1-[3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone is COCC1CC2(CCN(C(=O)COc3ccc(F)cc3)CC2)CO1.
What is the InChIKey of 2-(4-fluorophenoxy)-1-[3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone?
The InChIKey is QSAHGLHBPGPUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO4/c1-22-11-16-10-18(13-24-16)6-8-20(9-7-18)17(21)12-23-15-4-2-14(19)3-5-15/h2-5,16H,6-13H2,1H3.
What are the key properties of 2-(4-fluorophenoxy)-1-[3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone?
2-(4-fluorophenoxy)-1-[3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone has a molecular weight of 337.39 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-1-[3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone is sourced from PubChem (CID 131651656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).