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

C19H20FN3O — CID 118293837

IUPAC(2S,5R)-2-[4-(4-fluorophenyl)-2-pyridinyl]-1,9-diazaspiro[4.5]decan-10-one
SMILESO=C1NCCC[C@@]12CC[C@@H](c1cc(-c3ccc(F)cc3)ccn1)N2
InChIInChI=1S/C19H20FN3O/c20-15-4-2-13(3-5-15)14-7-11-21-17(12-14)16-6-9-19(23-16)8-1-10-22-18(19)24/h2-5,7,11-12,16,23H,1,6,8-10H2,(H,22,24)/t16-,19+/m0/s1
InChIKeyOCQOBQSIKGOINR-QFBILLFUSA-N
MW325.39 g/mol
LogP2.96
Rot. Bonds2

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

(2S,5R)-2-[4-(4-fluorophenyl)-2-pyridinyl]-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 118293837) has the molecular formula C19H20FN3O and a molecular weight of 325.39 g/mol. Its IUPAC name is (2S,5R)-2-[4-(4-fluorophenyl)-2-pyridinyl]-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name(2S,5R)-2-[4-(4-fluorophenyl)-2-pyridinyl]-1,9-diazaspiro[4.5]decan-10-one
PubChem CID118293837
Molecular FormulaC19H20FN3O
Molecular Weight325.39 g/mol
Exact Mass325.16
IUPAC Name(2S,5R)-2-[4-(4-fluorophenyl)-2-pyridinyl]-1,9-diazaspiro[4.5]decan-10-one
SMILESO=C1NCCC[C@@]12CC[C@@H](c1cc(-c3ccc(F)cc3)ccn1)N2
InChIInChI=1S/C19H20FN3O/c20-15-4-2-13(3-5-15)14-7-11-21-17(12-14)16-6-9-19(23-16)8-1-10-22-18(19)24/h2-5,7,11-12,16,23H,1,6,8-10H2,(H,22,24)/t16-,19+/m0/s1
InChIKeyOCQOBQSIKGOINR-QFBILLFUSA-N
XLogP2.96
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(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
(2S,5S)-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one
CID 118294030
(2R,5S)-2-[4-(4-fluorophenyl)-2-pyridinyl]-1-oxa-9-azaspiro[4.5]decan-10-one
CID 121257750
(2R,5S)-8,8-dimethyl-2-[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride
CID 118293952
7-methyl-2-[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one
CID 123435041
(2S,8S)-2-[4-(5-ethoxy-2-fluorophenyl)-2-pyridinyl]-8-methyl-1,9-diazaspiro[4.5]decan-10-one
CID 118300580
(2R,5S)-2-[4-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride
CID 118293741
(2R,5S)-2-[4-[2-fluoro-5-(1-methylpyrazol-4-yl)phenyl]-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride
CID 118293886
(2R,5S)-9-methyl-2-[4-[3-(trifluoromethyl)phenyl]-2-pyridinyl]-1,9-diazaspiro[4.5]decan-10-one;hydrochloride
CID 71621060
(2R,5S)-2-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride
CID 118293817
2-[5-[(2-methylpropan-2-yl)oxy]-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one
CID 123269226

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2-[4-(4-fluorophenyl)-2-pyridinyl]-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of (2S,5R)-2-[4-(4-fluorophenyl)-2-pyridinyl]-1,9-diazaspiro[4.5]decan-10-one (CID 118293837) is (2S,5R)-2-[4-(4-fluorophenyl)-2-pyridinyl]-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for (2S,5R)-2-[4-(4-fluorophenyl)-2-pyridinyl]-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for (2S,5R)-2-[4-(4-fluorophenyl)-2-pyridinyl]-1,9-diazaspiro[4.5]decan-10-one is O=C1NCCC[C@@]12CC[C@@H](c1cc(-c3ccc(F)cc3)ccn1)N2.
What is the InChIKey of (2S,5R)-2-[4-(4-fluorophenyl)-2-pyridinyl]-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is OCQOBQSIKGOINR-QFBILLFUSA-N. The full InChI is InChI=1S/C19H20FN3O/c20-15-4-2-13(3-5-15)14-7-11-21-17(12-14)16-6-9-19(23-16)8-1-10-22-18(19)24/h2-5,7,11-12,16,23H,1,6,8-10H2,(H,22,24)/t16-,19+/m0/s1.
What are the key properties of (2S,5R)-2-[4-(4-fluorophenyl)-2-pyridinyl]-1,9-diazaspiro[4.5]decan-10-one?
(2S,5R)-2-[4-(4-fluorophenyl)-2-pyridinyl]-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 325.39 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2-[4-(4-fluorophenyl)-2-pyridinyl]-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 118293837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).