cyclopenten-1-yl-[(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone

C19H23FN2O3 — CID 97419638

IUPACcyclopenten-1-yl-[(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
SMILESO=C(C1=CCCC1)N1CCC[C@]2(C[C@@H](Oc3ncccc3F)CO2)C1
InChIInChI=1S/C19H23FN2O3/c20-16-7-3-9-21-17(16)25-15-11-19(24-12-15)8-4-10-22(13-19)18(23)14-5-1-2-6-14/h3,5,7,9,15H,1-2,4,6,8,10-13H2/t15-,19+/m1/s1
InChIKeyJKXVOYYKCUJIKG-BEFAXECRSA-N
MW346.40 g/mol
LogP2.86
Rot. Bonds3

About cyclopenten-1-yl-[(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone

cyclopenten-1-yl-[(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone (PubChem CID 97419638) has the molecular formula C19H23FN2O3 and a molecular weight of 346.40 g/mol. Its IUPAC name is cyclopenten-1-yl-[(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone.

Molecular Properties

Compound Namecyclopenten-1-yl-[(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
PubChem CID97419638
Molecular FormulaC19H23FN2O3
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Namecyclopenten-1-yl-[(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
SMILESO=C(C1=CCCC1)N1CCC[C@]2(C[C@@H](Oc3ncccc3F)CO2)C1
InChIInChI=1S/C19H23FN2O3/c20-16-7-3-9-21-17(16)25-15-11-19(24-12-15)8-4-10-22(13-19)18(23)14-5-1-2-6-14/h3,5,7,9,15H,1-2,4,6,8,10-13H2/t15-,19+/m1/s1
InChIKeyJKXVOYYKCUJIKG-BEFAXECRSA-N
XLogP2.86
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopenten-1-yl-[(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
The IUPAC name of cyclopenten-1-yl-[(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone (CID 97419638) is cyclopenten-1-yl-[(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone.
What is the SMILES notation for cyclopenten-1-yl-[(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
The canonical SMILES for cyclopenten-1-yl-[(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone is O=C(C1=CCCC1)N1CCC[C@]2(C[C@@H](Oc3ncccc3F)CO2)C1.
What is the InChIKey of cyclopenten-1-yl-[(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
The InChIKey is JKXVOYYKCUJIKG-BEFAXECRSA-N. The full InChI is InChI=1S/C19H23FN2O3/c20-16-7-3-9-21-17(16)25-15-11-19(24-12-15)8-4-10-22(13-19)18(23)14-5-1-2-6-14/h3,5,7,9,15H,1-2,4,6,8,10-13H2/t15-,19+/m1/s1.
What are the key properties of cyclopenten-1-yl-[(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
cyclopenten-1-yl-[(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone has a molecular weight of 346.40 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenten-1-yl-[(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone is sourced from PubChem (CID 97419638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).