2-(4-fluorophenyl)-1-[5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone

C19H26FNO3 — CID 118739565

IUPAC2-(4-fluorophenyl)-1-[5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
SMILESCOCC1COCCC12CCN(C(=O)Cc1ccc(F)cc1)CC2
InChIInChI=1S/C19H26FNO3/c1-23-13-16-14-24-11-8-19(16)6-9-21(10-7-19)18(22)12-15-2-4-17(20)5-3-15/h2-5,16H,6-14H2,1H3
InChIKeyJMVBZPVIJWJOSX-UHFFFAOYSA-N
MW335.42 g/mol
LogP2.66
Rot. Bonds4

About 2-(4-fluorophenyl)-1-[5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone

2-(4-fluorophenyl)-1-[5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone (PubChem CID 118739565) has the molecular formula C19H26FNO3 and a molecular weight of 335.42 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
PubChem CID118739565
Molecular FormulaC19H26FNO3
Molecular Weight335.42 g/mol
Exact Mass335.19
IUPAC Name2-(4-fluorophenyl)-1-[5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
SMILESCOCC1COCCC12CCN(C(=O)Cc1ccc(F)cc1)CC2
InChIInChI=1S/C19H26FNO3/c1-23-13-16-14-24-11-8-19(16)6-9-21(10-7-19)18(22)12-15-2-4-17(20)5-3-15/h2-5,16H,6-14H2,1H3
InChIKeyJMVBZPVIJWJOSX-UHFFFAOYSA-N
XLogP2.66
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-Phenyl-tetrahydro-pyran-4-yl)-piperidin-1-yl-methanone
CID 649168
2-(3-Fluorophenyl)-1-{1-oxa-9-azaspiro[5.5]undecan-9-YL}ethan-1-one
CID 110203850
1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxo-N-[2-(tetrahydro-2H-pyran-4-yl)ethyl]-3-piperidinecarboxamide
CID 24817203
1-[2-Cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]dec-8-yl]-2-(3-fluorophenyl)-1-ethanone
CID 91922180
1-[2-Cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]dec-8-yl]-2-(2-fluorophenyl)-1-ethanone
CID 91922187
2-(4-Fluorophenyl)-N-{2-[4-(2-methoxyethyl)piperidin-1-YL]-2-oxoethyl}-N-methylacetamide
CID 53151074
Ethyl 1-(2,2-diphenylacetyl)-3-methylpiperidine-3-carboxylate
CID 49791172
1-[4-(2-Methoxyethyl)piperidino]-2-[3-(trifluoromethyl)phenyl]-1-ethanone
CID 53150813
2-(2-Fluorophenyl)-1-[4-(2-methoxyethyl)piperidin-1-YL]ethan-1-one
CID 53150862
2-(4-Fluorophenyl)-1-[4-(2-methoxyethyl)piperidino]-1-ethanone
CID 53150869
[4-(3-Fluorophenyl)oxan-4-yl]-(2-methylmorpholin-4-yl)methanone
CID 53512400
[4-(2,4-Difluorophenyl)oxan-4-yl]-(2-methylmorpholin-4-yl)methanone
CID 75392484

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone (CID 118739565) is 2-(4-fluorophenyl)-1-[5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone is COCC1COCCC12CCN(C(=O)Cc1ccc(F)cc1)CC2.
What is the InChIKey of 2-(4-fluorophenyl)-1-[5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone?
The InChIKey is JMVBZPVIJWJOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FNO3/c1-23-13-16-14-24-11-8-19(16)6-9-21(10-7-19)18(22)12-15-2-4-17(20)5-3-15/h2-5,16H,6-14H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-1-[5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone?
2-(4-fluorophenyl)-1-[5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone has a molecular weight of 335.42 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone is sourced from PubChem (CID 118739565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).