2-(2-fluorophenyl)-1-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone

C20H21FN2O3 — CID 131648181

IUPAC2-(2-fluorophenyl)-1-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone
SMILESO=C(Cc1ccccc1F)N1CC2(CC(Oc3ccccn3)CCO2)C1
InChIInChI=1S/C20H21FN2O3/c21-17-6-2-1-5-15(17)11-19(24)23-13-20(14-23)12-16(8-10-25-20)26-18-7-3-4-9-22-18/h1-7,9,16H,8,10-14H2
InChIKeyODJQYEKMYGINFT-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.60
Rot. Bonds4

About 2-(2-fluorophenyl)-1-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone

2-(2-fluorophenyl)-1-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone (PubChem CID 131648181) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone
PubChem CID131648181
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC Name2-(2-fluorophenyl)-1-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone
SMILESO=C(Cc1ccccc1F)N1CC2(CC(Oc3ccccn3)CCO2)C1
InChIInChI=1S/C20H21FN2O3/c21-17-6-2-1-5-15(17)11-19(24)23-13-20(14-23)12-16(8-10-25-20)26-18-7-3-4-9-22-18/h1-7,9,16H,8,10-14H2
InChIKeyODJQYEKMYGINFT-UHFFFAOYSA-N
XLogP2.60
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylphenyl)-1-[(8R)-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 124821943
1-[(8R)-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-thiophen-3-ylethanone
CID 124793677
1-[8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-(2-methylphenyl)ethanone
CID 131649503
2-cyclopropyl-1-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone;2,2,2-trifluoroacetic acid
CID 155869247
1-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)butan-1-one;2,2,2-trifluoroacetic acid
CID 155868688
(3-fluorocyclobutyl)-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone
CID 131692751
cyclopent-3-en-1-yl-[(8S)-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124787557
2-methyl-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
CID 131641036
(4-methoxyphenyl)-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone
CID 131655355
1-[8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-3-methylbutan-1-one
CID 131692833
(5-ethyl-1,2-oxazol-4-yl)-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone
CID 131692680
(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)-(thian-4-yl)methanone;2,2,2-trifluoroacetic acid
CID 155839005

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone?
The IUPAC name of 2-(2-fluorophenyl)-1-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone (CID 131648181) is 2-(2-fluorophenyl)-1-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone.
What is the SMILES notation for 2-(2-fluorophenyl)-1-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone?
The canonical SMILES for 2-(2-fluorophenyl)-1-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone is O=C(Cc1ccccc1F)N1CC2(CC(Oc3ccccn3)CCO2)C1.
What is the InChIKey of 2-(2-fluorophenyl)-1-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone?
The InChIKey is ODJQYEKMYGINFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3/c21-17-6-2-1-5-15(17)11-19(24)23-13-20(14-23)12-16(8-10-25-20)26-18-7-3-4-9-22-18/h1-7,9,16H,8,10-14H2.
What are the key properties of 2-(2-fluorophenyl)-1-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone?
2-(2-fluorophenyl)-1-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone has a molecular weight of 356.40 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone is sourced from PubChem (CID 131648181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).