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

C18H24FNO3 — CID 91917976

IUPAC2-(3-fluorophenyl)-1-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone
SMILESCOC1CCOC2(CCN(C(=O)Cc3cccc(F)c3)CC2)C1
InChIInChI=1S/C18H24FNO3/c1-22-16-5-10-23-18(13-16)6-8-20(9-7-18)17(21)12-14-3-2-4-15(19)11-14/h2-4,11,16H,5-10,12-13H2,1H3
InChIKeyNXCCMUTZKIRXSB-UHFFFAOYSA-N
MW321.39 g/mol
LogP2.55
Rot. Bonds3

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

2-(3-fluorophenyl)-1-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone (PubChem CID 91917976) has the molecular formula C18H24FNO3 and a molecular weight of 321.39 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone
PubChem CID91917976
Molecular FormulaC18H24FNO3
Molecular Weight321.39 g/mol
Exact Mass321.17
IUPAC Name2-(3-fluorophenyl)-1-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone
SMILESCOC1CCOC2(CCN(C(=O)Cc3cccc(F)c3)CC2)C1
InChIInChI=1S/C18H24FNO3/c1-22-16-5-10-23-18(13-16)6-8-20(9-7-18)17(21)12-14-3-2-4-15(19)11-14/h2-4,11,16H,5-10,12-13H2,1H3
InChIKeyNXCCMUTZKIRXSB-UHFFFAOYSA-N
XLogP2.55
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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

2-(3-fluorophenyl)-1-[(4S)-4-[(4-methoxyphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 164636277
1-[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(3-fluorophenyl)ethanone;2,2,2-trifluoroacetic acid
CID 155865264
2-(3-fluorophenyl)-1-(1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone
CID 110203850
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
(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(3-methoxyphenyl)methanone
CID 91917960
(2,5-difluorophenyl)-(4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 91918073
1-(cyclopropylmethyl)-7-[2-(3-fluorophenyl)acetyl]-3-methoxy-1,7-diazaspiro[3.5]nonan-2-one
CID 91911204
(3-fluoro-4-methoxyphenyl)-[(4S)-4-[(3-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 164640540
1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 48868563
2-(3-fluorophenyl)-1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
CID 110156402
1-[(3aR,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-(3-fluorophenyl)ethanone
CID 97377913

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone (CID 91917976) is 2-(3-fluorophenyl)-1-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone is COC1CCOC2(CCN(C(=O)Cc3cccc(F)c3)CC2)C1.
What is the InChIKey of 2-(3-fluorophenyl)-1-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone?
The InChIKey is NXCCMUTZKIRXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO3/c1-22-16-5-10-23-18(13-16)6-8-20(9-7-18)17(21)12-14-3-2-4-15(19)11-14/h2-4,11,16H,5-10,12-13H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-1-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone?
2-(3-fluorophenyl)-1-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone has a molecular weight of 321.39 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone is sourced from PubChem (CID 91917976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).