8-(4-fluorophenyl)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane

C20H23FN2O2 — CID 118742849

IUPAC8-(4-fluorophenyl)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
SMILESFc1ccc(N2CCC3(CC2)CC(OCc2cccnc2)CO3)cc1
InChIInChI=1S/C20H23FN2O2/c21-17-3-5-18(6-4-17)23-10-7-20(8-11-23)12-19(15-25-20)24-14-16-2-1-9-22-13-16/h1-6,9,13,19H,7-8,10-12,14-15H2
InChIKeyNDJKCKCMFWAUOC-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.57
Rot. Bonds4

About 8-(4-fluorophenyl)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane

8-(4-fluorophenyl)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane (PubChem CID 118742849) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 8-(4-fluorophenyl)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(4-fluorophenyl)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
PubChem CID118742849
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name8-(4-fluorophenyl)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
SMILESFc1ccc(N2CCC3(CC2)CC(OCc2cccnc2)CO3)cc1
InChIInChI=1S/C20H23FN2O2/c21-17-3-5-18(6-4-17)23-10-7-20(8-11-23)12-19(15-25-20)24-14-16-2-1-9-22-13-16/h1-6,9,13,19H,7-8,10-12,14-15H2
InChIKeyNDJKCKCMFWAUOC-UHFFFAOYSA-N
XLogP3.57
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(4-fluorophenyl)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(4-fluorophenyl)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane (CID 118742849) is 8-(4-fluorophenyl)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(4-fluorophenyl)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(4-fluorophenyl)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane is Fc1ccc(N2CCC3(CC2)CC(OCc2cccnc2)CO3)cc1.
What is the InChIKey of 8-(4-fluorophenyl)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is NDJKCKCMFWAUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c21-17-3-5-18(6-4-17)23-10-7-20(8-11-23)12-19(15-25-20)24-14-16-2-1-9-22-13-16/h1-6,9,13,19H,7-8,10-12,14-15H2.
What are the key properties of 8-(4-fluorophenyl)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane?
8-(4-fluorophenyl)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 342.41 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluorophenyl)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 118742849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).