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13850-76-5,MFCD01856779
Catalog No.:AA001987

13850-76-5 | 1-Benzoylpiperidine-3-carboxylic acid

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250mg
95%
in stock  
$145.00   $102.00
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1g
95%
in stock  
$311.00   $218.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA001987
Chemical Name:
1-Benzoylpiperidine-3-carboxylic acid
CAS Number:
13850-76-5
Molecular Formula:
C13H15NO3
Molecular Weight:
233.2631
MDL Number:
MFCD01856779
SMILES:
OC(=O)C1CCCN(C1)C(=O)c1ccccc1
Properties
Computed Properties
 
Complexity:
297  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
1  
XLogP3:
1.4  

Downstream Synthesis Route

[1]CurrentPatentAssignee:UNIVERSITYOFLJUBLJANA-WO2022/63751,2022,A1Locationinpatent:Page/Pagecolumn7-8

[2]CurrentPatentAssignee:UNIVERSITYOFLJUBLJANA-WO2022/63751,2022,A1Locationinpatent:Page/Pagecolumn7-8

[3]Košak,Urban;Brus,Boris;Gobec,Stanislav[TetrahedronLetters,2014,vol.55,#12,p.2037-2039]

[4]CurrentPatentAssignee:UNIVERSITYOFLJUBLJANA-WO2016/151484,2016,A1Locationinpatent:Paragraph0176

[5]Košak,Urban;Knez,Damijan;Brus,Boris;Pišlar,Anja;Kos,Janko;Gobec,Stanislav;Coquelle,Nicolas;Colletier,Jacques-Philippe;Nachon,Florian;Brazzolotto,Xavier[BioorganicandMedicinalChemistry,2017,vol.25,#2,p.633-645]

[6]Košak,Urban;Brus,Boris;Knez,Damijan;Žakelj,Simon;Trontelj,Jurij;Pišlar,Anja;Šink,Roman;Jukič,Marko;Živin,Marko;Podkowa,Adrian;Nachon,Florian;Brazzolotto,Xavier;Stojan,Jure;Kos,Janko;Coquelle,Nicolas;Sałat,Kinga;Colletier,Jacques-Philippe;Gobec,Stanislav[JournalofMedicinalChemistry,2018,vol.61,#1,p.119-139]

[1]TetrahedronLetters,2014,vol.55,p.2037-2039

[2]Patent:WO2016/151484,2016,A1.Locationinpatent:Paragraph0058

[3]JournalofMedicinalChemistry,2018,vol.61,p.119-139

[4]BioorganicandMedicinalChemistry,2017,vol.25,p.633-645

Literature
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SDS
Tags:13850-76-5 Molecular Formula|13850-76-5 MDL|13850-76-5 SMILES|13850-76-5 1-Benzoylpiperidine-3-carboxylic acid