(2R,5S)-2-[4-(4-fluorophenyl)-2-pyridinyl]-1-oxa-9-azaspiro[4.5]decan-10-one

C19H19FN2O2 — CID 121257750

IUPAC(2R,5S)-2-[4-(4-fluorophenyl)-2-pyridinyl]-1-oxa-9-azaspiro[4.5]decan-10-one
SMILESO=C1NCCC[C@]12CC[C@H](c1cc(-c3ccc(F)cc3)ccn1)O2
InChIInChI=1S/C19H19FN2O2/c20-15-4-2-13(3-5-15)14-7-11-21-16(12-14)17-6-9-19(24-17)8-1-10-22-18(19)23/h2-5,7,11-12,17H,1,6,8-10H2,(H,22,23)/t17-,19+/m1/s1
InChIKeyIBSCDRPRXHBYOD-MJGOQNOKSA-N
MW326.37 g/mol
LogP3.39
Rot. Bonds2

About (2R,5S)-2-[4-(4-fluorophenyl)-2-pyridinyl]-1-oxa-9-azaspiro[4.5]decan-10-one

(2R,5S)-2-[4-(4-fluorophenyl)-2-pyridinyl]-1-oxa-9-azaspiro[4.5]decan-10-one (PubChem CID 121257750) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is (2R,5S)-2-[4-(4-fluorophenyl)-2-pyridinyl]-1-oxa-9-azaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name(2R,5S)-2-[4-(4-fluorophenyl)-2-pyridinyl]-1-oxa-9-azaspiro[4.5]decan-10-one
PubChem CID121257750
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name(2R,5S)-2-[4-(4-fluorophenyl)-2-pyridinyl]-1-oxa-9-azaspiro[4.5]decan-10-one
SMILESO=C1NCCC[C@]12CC[C@H](c1cc(-c3ccc(F)cc3)ccn1)O2
InChIInChI=1S/C19H19FN2O2/c20-15-4-2-13(3-5-15)14-7-11-21-16(12-14)17-6-9-19(24-17)8-1-10-22-18(19)23/h2-5,7,11-12,17H,1,6,8-10H2,(H,22,23)/t17-,19+/m1/s1
InChIKeyIBSCDRPRXHBYOD-MJGOQNOKSA-N
XLogP3.39
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5R)-2-[4-(4-fluorophenyl)-2-pyridinyl]-1,9-diazaspiro[4.5]decan-10-one
CID 118293837
(2S,5S)-2-[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,9-diazaspiro[4.5]decan-10-one;hydrochloride
CID 118293993
(2R,5R)-2-[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one
CID 118294037
(4S,5S)-5-(4-fluorophenyl)-4-(4-phenyl-2-pyridinyl)-1,3-oxazolidin-2-one
CID 69281904
2-fluoro-4-(4-fluorophenyl)pyridine
CID 46312736
(2S,5S)-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one
CID 118294030
32-fluoro-13-methylspiro[5,7,13,17,20,24,26,29-octazapentacyclo[23.2.2.214,17.12,6.18,12]tritriaconta-1(27),2(33),3,5,8(32),9,11,25,28-nonaene-18,1'-cyclopropane]-19-one
CID 118429625
(10R,14S)-14-amino-4-fluoro-10-methyl-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-9-one
CID 118287539
(2R,5S)-8,8-dimethyl-2-[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride
CID 118293952
methyl 4-(4-fluorophenyl)pyridine-2-carboxylate
CID 54226711
(2S,5S)-1-ethyl-2-[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,8-diazaspiro[4.5]decan-7-one
CID 140682632
1-[3-(4-fluorophenyl)phenyl]cyclopropane-1-carboxylic acid
CID 83549723

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2-[4-(4-fluorophenyl)-2-pyridinyl]-1-oxa-9-azaspiro[4.5]decan-10-one?
The IUPAC name of (2R,5S)-2-[4-(4-fluorophenyl)-2-pyridinyl]-1-oxa-9-azaspiro[4.5]decan-10-one (CID 121257750) is (2R,5S)-2-[4-(4-fluorophenyl)-2-pyridinyl]-1-oxa-9-azaspiro[4.5]decan-10-one.
What is the SMILES notation for (2R,5S)-2-[4-(4-fluorophenyl)-2-pyridinyl]-1-oxa-9-azaspiro[4.5]decan-10-one?
The canonical SMILES for (2R,5S)-2-[4-(4-fluorophenyl)-2-pyridinyl]-1-oxa-9-azaspiro[4.5]decan-10-one is O=C1NCCC[C@]12CC[C@H](c1cc(-c3ccc(F)cc3)ccn1)O2.
What is the InChIKey of (2R,5S)-2-[4-(4-fluorophenyl)-2-pyridinyl]-1-oxa-9-azaspiro[4.5]decan-10-one?
The InChIKey is IBSCDRPRXHBYOD-MJGOQNOKSA-N. The full InChI is InChI=1S/C19H19FN2O2/c20-15-4-2-13(3-5-15)14-7-11-21-16(12-14)17-6-9-19(24-17)8-1-10-22-18(19)23/h2-5,7,11-12,17H,1,6,8-10H2,(H,22,23)/t17-,19+/m1/s1.
What are the key properties of (2R,5S)-2-[4-(4-fluorophenyl)-2-pyridinyl]-1-oxa-9-azaspiro[4.5]decan-10-one?
(2R,5S)-2-[4-(4-fluorophenyl)-2-pyridinyl]-1-oxa-9-azaspiro[4.5]decan-10-one has a molecular weight of 326.37 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2-[4-(4-fluorophenyl)-2-pyridinyl]-1-oxa-9-azaspiro[4.5]decan-10-one is sourced from PubChem (CID 121257750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).