1-[(3R)-3-[(2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-methoxyethanone

C18H24FNO3 — CID 124997211

IUPAC1-[(3R)-3-[(2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC2(CC1)C[C@@H](Cc1ccccc1F)CO2
InChIInChI=1S/C18H24FNO3/c1-22-13-17(21)20-8-6-18(7-9-20)11-14(12-23-18)10-15-4-2-3-5-16(15)19/h2-5,14H,6-13H2,1H3/t14-/m1/s1
InChIKeyQYMDEOLZNVLWMY-CQSZACIVSA-N
MW321.39 g/mol
LogP2.41
Rot. Bonds4

About 1-[(3R)-3-[(2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-methoxyethanone

1-[(3R)-3-[(2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-methoxyethanone (PubChem CID 124997211) has the molecular formula C18H24FNO3 and a molecular weight of 321.39 g/mol. Its IUPAC name is 1-[(3R)-3-[(2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[(3R)-3-[(2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-methoxyethanone
PubChem CID124997211
Molecular FormulaC18H24FNO3
Molecular Weight321.39 g/mol
Exact Mass321.17
IUPAC Name1-[(3R)-3-[(2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC2(CC1)C[C@@H](Cc1ccccc1F)CO2
InChIInChI=1S/C18H24FNO3/c1-22-13-17(21)20-8-6-18(7-9-20)11-14(12-23-18)10-15-4-2-3-5-16(15)19/h2-5,14H,6-13H2,1H3/t14-/m1/s1
InChIKeyQYMDEOLZNVLWMY-CQSZACIVSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(3R)-3-[(2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-methoxyethanone with MolForge

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Related Compounds

(2-fluorophenyl)-[(3R)-3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97487255
1-[(3S,4S)-3,4-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(2-fluorophenyl)ethanone
CID 163305287
[(3R)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-phenylmethanone
CID 97394793
[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-phenylmethanone
CID 97394794
3-(2-chlorophenyl)-1-[(3R)-3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-1-one
CID 97476919
2-(2-fluorophenyl)-1-(1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone
CID 110203853
1-[3-(4-fluoro-N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(2-methoxyethoxy)ethanone
CID 110138665
(3R,5R)-7-[(2-fluorophenyl)methyl]-3-methoxy-1-oxa-7-azaspiro[4.4]nonane
CID 97394141
2-methoxy-1-[7-(2-methoxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone
CID 146074060
1-(4,4-dimethoxypiperidin-1-yl)-3-(2-fluorophenyl)propan-1-one
CID 112534879
2-(4-fluoro-2-methylphenyl)-1-[(3S)-3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 97477001
2-(4-fluoro-2-methylphenyl)-1-[(3R)-3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 97477002

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[(2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-methoxyethanone?
The IUPAC name of 1-[(3R)-3-[(2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-methoxyethanone (CID 124997211) is 1-[(3R)-3-[(2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[(3R)-3-[(2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-methoxyethanone?
The canonical SMILES for 1-[(3R)-3-[(2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-methoxyethanone is COCC(=O)N1CCC2(CC1)C[C@@H](Cc1ccccc1F)CO2.
What is the InChIKey of 1-[(3R)-3-[(2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-methoxyethanone?
The InChIKey is QYMDEOLZNVLWMY-CQSZACIVSA-N. The full InChI is InChI=1S/C18H24FNO3/c1-22-13-17(21)20-8-6-18(7-9-20)11-14(12-23-18)10-15-4-2-3-5-16(15)19/h2-5,14H,6-13H2,1H3/t14-/m1/s1.
What are the key properties of 1-[(3R)-3-[(2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-methoxyethanone?
1-[(3R)-3-[(2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-methoxyethanone has a molecular weight of 321.39 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[(2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-methoxyethanone is sourced from PubChem (CID 124997211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).