(5S)-6-(4-fluorophenyl)-9,9-dimethyl-3,6-diazabicyclo[3.2.2]nonan-2-one

C15H19FN2O — CID 155220498

IUPAC(5S)-6-(4-fluorophenyl)-9,9-dimethyl-3,6-diazabicyclo[3.2.2]nonan-2-one
SMILESCC1(C)CC2CN(c3ccc(F)cc3)[C@@H]1CNC2=O
InChIInChI=1S/C15H19FN2O/c1-15(2)7-10-9-18(13(15)8-17-14(10)19)12-5-3-11(16)4-6-12/h3-6,10,13H,7-9H2,1-2H3,(H,17,19)/t10?,13-/m1/s1
InChIKeyJEEVQLDYQRSHIX-JLOHTSLTSA-N
MW262.33 g/mol
LogP2.18
Rot. Bonds1

About (5S)-6-(4-fluorophenyl)-9,9-dimethyl-3,6-diazabicyclo[3.2.2]nonan-2-one

(5S)-6-(4-fluorophenyl)-9,9-dimethyl-3,6-diazabicyclo[3.2.2]nonan-2-one (PubChem CID 155220498) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is (5S)-6-(4-fluorophenyl)-9,9-dimethyl-3,6-diazabicyclo[3.2.2]nonan-2-one.

Molecular Properties

Compound Name(5S)-6-(4-fluorophenyl)-9,9-dimethyl-3,6-diazabicyclo[3.2.2]nonan-2-one
PubChem CID155220498
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name(5S)-6-(4-fluorophenyl)-9,9-dimethyl-3,6-diazabicyclo[3.2.2]nonan-2-one
SMILESCC1(C)CC2CN(c3ccc(F)cc3)[C@@H]1CNC2=O
InChIInChI=1S/C15H19FN2O/c1-15(2)7-10-9-18(13(15)8-17-14(10)19)12-5-3-11(16)4-6-12/h3-6,10,13H,7-9H2,1-2H3,(H,17,19)/t10?,13-/m1/s1
InChIKeyJEEVQLDYQRSHIX-JLOHTSLTSA-N
XLogP2.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5S)-9,9-dimethyl-6-phenyl-3,6-diazabicyclo[3.2.2]nonan-2-one
CID 155220736
(1S,5S)-6-(4-methoxyphenyl)-3,6-diazabicyclo[3.2.2]nonan-2-one
CID 68558737
(1R,5S)-9,9-dimethyl-6-(4-piperidin-1-ylphenyl)-3,6-diazabicyclo[3.2.2]nonane
CID 163653681
3-(2,2-dimethylcyclopropyl)-2-(4-fluorophenyl)-5-methylimidazolidin-4-one
CID 83247124
4-[4-[(1R,5S)-9,9-dimethyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]phenyl]morpholine
CID 138543852
(5S)-6-(4-ethoxyphenyl)-3-(4-fluorophenyl)sulfonyl-9,9-dimethyl-3,6-diazabicyclo[3.2.2]nonane
CID 155627928
1-(4-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine
CID 64953690
(1R,5S)-9,9-dimethyl-6-(4-piperidin-1-ylphenyl)-2,6-diazabicyclo[3.2.2]nonan-3-one
CID 161049744
1-(4-fluorophenyl)-N,4,4-trimethylpiperidin-3-amine
CID 117025355
(5R)-3,3-diethyl-5-[2-[(3S)-4-(4-fluorophenyl)-3-methylpiperazin-1-yl]ethyl]oxolan-2-one
CID 167327864
(3aR,7R,7aS)-2-(4-fluorophenyl)sulfonyl-7-methyl-3,3a,4,5,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-6-one
CID 133139615
4-(bicyclo[1.1.0]butane-1-carbonyl)-1-(4-fluorophenyl)-3,3-dimethylpiperazin-2-one
CID 166427384

Frequently Asked Questions

What is the IUPAC name of (5S)-6-(4-fluorophenyl)-9,9-dimethyl-3,6-diazabicyclo[3.2.2]nonan-2-one?
The IUPAC name of (5S)-6-(4-fluorophenyl)-9,9-dimethyl-3,6-diazabicyclo[3.2.2]nonan-2-one (CID 155220498) is (5S)-6-(4-fluorophenyl)-9,9-dimethyl-3,6-diazabicyclo[3.2.2]nonan-2-one.
What is the SMILES notation for (5S)-6-(4-fluorophenyl)-9,9-dimethyl-3,6-diazabicyclo[3.2.2]nonan-2-one?
The canonical SMILES for (5S)-6-(4-fluorophenyl)-9,9-dimethyl-3,6-diazabicyclo[3.2.2]nonan-2-one is CC1(C)CC2CN(c3ccc(F)cc3)[C@@H]1CNC2=O.
What is the InChIKey of (5S)-6-(4-fluorophenyl)-9,9-dimethyl-3,6-diazabicyclo[3.2.2]nonan-2-one?
The InChIKey is JEEVQLDYQRSHIX-JLOHTSLTSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-15(2)7-10-9-18(13(15)8-17-14(10)19)12-5-3-11(16)4-6-12/h3-6,10,13H,7-9H2,1-2H3,(H,17,19)/t10?,13-/m1/s1.
What are the key properties of (5S)-6-(4-fluorophenyl)-9,9-dimethyl-3,6-diazabicyclo[3.2.2]nonan-2-one?
(5S)-6-(4-fluorophenyl)-9,9-dimethyl-3,6-diazabicyclo[3.2.2]nonan-2-one has a molecular weight of 262.33 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-6-(4-fluorophenyl)-9,9-dimethyl-3,6-diazabicyclo[3.2.2]nonan-2-one is sourced from PubChem (CID 155220498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).