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

C20H21FN2O3 — CID 97419631

IUPAC[(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC[C@]2(C[C@@H](Oc3ncccc3F)CO2)C1
InChIInChI=1S/C20H21FN2O3/c21-17-8-4-10-22-18(17)26-16-12-20(25-13-16)9-5-11-23(14-20)19(24)15-6-2-1-3-7-15/h1-4,6-8,10,16H,5,9,11-14H2/t16-,20+/m1/s1
InChIKeyQFFCFZUGEVNXFE-UZLBHIALSA-N
MW356.40 g/mol
LogP3.06
Rot. Bonds3

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

[(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]-phenylmethanone (PubChem CID 97419631) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is [(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]-phenylmethanone.

Molecular Properties

Compound Name[(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]-phenylmethanone
PubChem CID97419631
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC Name[(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC[C@]2(C[C@@H](Oc3ncccc3F)CO2)C1
InChIInChI=1S/C20H21FN2O3/c21-17-8-4-10-22-18(17)26-16-12-20(25-13-16)9-5-11-23(14-20)19(24)15-6-2-1-3-7-15/h1-4,6-8,10,16H,5,9,11-14H2/t16-,20+/m1/s1
InChIKeyQFFCFZUGEVNXFE-UZLBHIALSA-N
XLogP3.06
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.06
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]-phenylmethanone?
The IUPAC name of [(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]-phenylmethanone (CID 97419631) is [(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]-phenylmethanone.
What is the SMILES notation for [(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]-phenylmethanone?
The canonical SMILES for [(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]-phenylmethanone is O=C(c1ccccc1)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]-phenylmethanone?
The InChIKey is QFFCFZUGEVNXFE-UZLBHIALSA-N. The full InChI is InChI=1S/C20H21FN2O3/c21-17-8-4-10-22-18(17)26-16-12-20(25-13-16)9-5-11-23(14-20)19(24)15-6-2-1-3-7-15/h1-4,6-8,10,16H,5,9,11-14H2/t16-,20+/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]-phenylmethanone?
[(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]-phenylmethanone has a molecular weight of 356.40 g/mol, XLogP of 3.06, 3 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]-phenylmethanone is sourced from PubChem (CID 97419631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).