[(3R)-3-(2-fluorophenoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-[1-(3-fluorophenyl)cyclopentyl]methanone

C26H29F2NO3 — CID 125019143

IUPAC[(3R)-3-(2-fluorophenoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-[1-(3-fluorophenyl)cyclopentyl]methanone
SMILESO=C(N1CCC2(CC1)C[C@@H](Oc1ccccc1F)CO2)C1(c2cccc(F)c2)CCCC1
InChIInChI=1S/C26H29F2NO3/c27-20-7-5-6-19(16-20)26(10-3-4-11-26)24(30)29-14-12-25(13-15-29)17-21(18-31-25)32-23-9-2-1-8-22(23)28/h1-2,5-9,16,21H,3-4,10-15,17-18H2/t21-/m1/s1
InChIKeyXTWLERIHRRDOIU-OAQYLSRUSA-N
MW441.52 g/mol
LogP5.01
Rot. Bonds4

About [(3R)-3-(2-fluorophenoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-[1-(3-fluorophenyl)cyclopentyl]methanone

[(3R)-3-(2-fluorophenoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-[1-(3-fluorophenyl)cyclopentyl]methanone (PubChem CID 125019143) has the molecular formula C26H29F2NO3 and a molecular weight of 441.52 g/mol. Its IUPAC name is [(3R)-3-(2-fluorophenoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-[1-(3-fluorophenyl)cyclopentyl]methanone.

Molecular Properties

Compound Name[(3R)-3-(2-fluorophenoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-[1-(3-fluorophenyl)cyclopentyl]methanone
PubChem CID125019143
Molecular FormulaC26H29F2NO3
Molecular Weight441.52 g/mol
Exact Mass441.21
IUPAC Name[(3R)-3-(2-fluorophenoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-[1-(3-fluorophenyl)cyclopentyl]methanone
SMILESO=C(N1CCC2(CC1)C[C@@H](Oc1ccccc1F)CO2)C1(c2cccc(F)c2)CCCC1
InChIInChI=1S/C26H29F2NO3/c27-20-7-5-6-19(16-20)26(10-3-4-11-26)24(30)29-14-12-25(13-15-29)17-21(18-31-25)32-23-9-2-1-8-22(23)28/h1-2,5-9,16,21H,3-4,10-15,17-18H2/t21-/m1/s1
InChIKeyXTWLERIHRRDOIU-OAQYLSRUSA-N
XLogP5.01
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.52
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-fluorophenoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-[1-(3-fluorophenyl)cyclopentyl]methanone
CID 110148680
[4-(2,4-difluorophenoxy)piperidin-1-yl]-[1-(3-fluorophenyl)cyclobutyl]methanone
CID 112836518
[1-(4-chlorophenyl)cyclobutyl]-[(3R)-3-phenoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 129459441
6-[1-(3-fluorophenyl)cyclohexanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174632
[1-(3-fluorophenyl)cyclopentyl]-morpholin-4-ylmethanone
CID 112762933
[1-(3-fluorophenyl)cyclopentyl]-(4-methylpiperazin-1-yl)methanone
CID 112759609
(4-ethoxypiperidin-1-yl)-[1-(3-fluorophenyl)cyclopentyl]methanone
CID 60557113
[4-(adamantane-1-carbonyl)piperazin-1-yl]-[1-(3-fluorophenyl)cyclobutyl]methanone
CID 55538682
10-[1-(3-fluorophenyl)cyclopentanecarbonyl]-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 132772818
[1-(3-fluorophenyl)cyclopentyl]-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 55341520
1-[(2R)-4-[1-(3-fluorophenyl)cyclopentanecarbonyl]-2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 124964723
(3,5-dimethylpiperidin-1-yl)-[1-(3-fluorophenyl)cyclopentyl]methanone
CID 55341968

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(2-fluorophenoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-[1-(3-fluorophenyl)cyclopentyl]methanone?
The IUPAC name of [(3R)-3-(2-fluorophenoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-[1-(3-fluorophenyl)cyclopentyl]methanone (CID 125019143) is [(3R)-3-(2-fluorophenoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-[1-(3-fluorophenyl)cyclopentyl]methanone.
What is the SMILES notation for [(3R)-3-(2-fluorophenoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-[1-(3-fluorophenyl)cyclopentyl]methanone?
The canonical SMILES for [(3R)-3-(2-fluorophenoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-[1-(3-fluorophenyl)cyclopentyl]methanone is O=C(N1CCC2(CC1)C[C@@H](Oc1ccccc1F)CO2)C1(c2cccc(F)c2)CCCC1.
What is the InChIKey of [(3R)-3-(2-fluorophenoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-[1-(3-fluorophenyl)cyclopentyl]methanone?
The InChIKey is XTWLERIHRRDOIU-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H29F2NO3/c27-20-7-5-6-19(16-20)26(10-3-4-11-26)24(30)29-14-12-25(13-15-29)17-21(18-31-25)32-23-9-2-1-8-22(23)28/h1-2,5-9,16,21H,3-4,10-15,17-18H2/t21-/m1/s1.
What are the key properties of [(3R)-3-(2-fluorophenoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-[1-(3-fluorophenyl)cyclopentyl]methanone?
[(3R)-3-(2-fluorophenoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-[1-(3-fluorophenyl)cyclopentyl]methanone has a molecular weight of 441.52 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(2-fluorophenoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-[1-(3-fluorophenyl)cyclopentyl]methanone is sourced from PubChem (CID 125019143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).