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

C18H24FN3O3 — CID 97419636

IUPAC[(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)N1CCC[C@]2(C[C@@H](Oc3ncccc3F)CO2)C1
InChIInChI=1S/C18H24FN3O3/c19-15-5-3-7-20-16(15)25-14-11-18(24-12-14)6-4-10-22(13-18)17(23)21-8-1-2-9-21/h3,5,7,14H,1-2,4,6,8-13H2/t14-,18+/m1/s1
InChIKeyQMTJBJKRAORIJA-KDOFPFPSSA-N
MW349.41 g/mol
LogP2.44
Rot. Bonds2

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

[(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone (PubChem CID 97419636) has the molecular formula C18H24FN3O3 and a molecular weight of 349.41 g/mol. Its IUPAC name is [(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone
PubChem CID97419636
Molecular FormulaC18H24FN3O3
Molecular Weight349.41 g/mol
Exact Mass349.18
IUPAC Name[(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)N1CCC[C@]2(C[C@@H](Oc3ncccc3F)CO2)C1
InChIInChI=1S/C18H24FN3O3/c19-15-5-3-7-20-16(15)25-14-11-18(24-12-14)6-4-10-22(13-18)17(23)21-8-1-2-9-21/h3,5,7,14H,1-2,4,6,8-13H2/t14-,18+/m1/s1
InChIKeyQMTJBJKRAORIJA-KDOFPFPSSA-N
XLogP2.44
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone (CID 97419636) is [(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone is O=C(N1CCCC1)N1CCC[C@]2(C[C@@H](Oc3ncccc3F)CO2)C1.
What is the InChIKey of [(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is QMTJBJKRAORIJA-KDOFPFPSSA-N. The full InChI is InChI=1S/C18H24FN3O3/c19-15-5-3-7-20-16(15)25-14-11-18(24-12-14)6-4-10-22(13-18)17(23)21-8-1-2-9-21/h3,5,7,14H,1-2,4,6,8-13H2/t14-,18+/m1/s1.
What are the key properties of [(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone?
[(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 349.41 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 97419636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).