Ketcher 07292115402D 1   1.00000     0.00000     0

 15 16  0     0  0            999 V2000
   11.8686  -11.9166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3685  -11.0506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3685  -11.0506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8686  -11.9166    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3685  -12.7827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3685  -12.7826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8686  -11.9166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3686  -11.0506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3685  -11.0506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8685  -11.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.3685  -12.7827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3685  -12.7827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8685  -11.9166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3686  -11.0506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3685  -12.7827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  1  6  1  0     0  0
  4  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
  7 12  1  0     0  0
 10 13  1  0     0  0
 13 14  2  0     0  0
 13 15  1  0     0  0
M  END
> <ID>
CHEBI:80763

> <NAME>
1,4'-bipiperidine-1'-carboxylic acid

> <DEFINITION>
A monocarboxylic acid resulting from the formal condensation of the amino group of 1,4'-bipiperidine with carbonic acid.

> <STAR>
3

> <SYNONYM>
4-piperidin-1-ylpiperidine-1-carboxylic acid

> <IUPAC_NAME>
[1,4'-bipiperidine]-1'-carboxylic acid

> <FORMULA>
C11H20N2O2

> <MASS>
212.293

> <MONOISOTOPIC_MASS>
212.15248

> <CHARGE>
0

> <SMILES>
OC(=O)N1CCC(CC1)N1CCCCC1

> <INCHI>
InChI=1S/C11H20N2O2/c14-11(15)13-8-4-10(5-9-13)12-6-2-1-3-7-12/h10H,1-9H2,(H,14,15)

> <INCHIKEY>
FJWVEDMJFKIJFB-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
1026078-50-1

> <KEGG_COMPOUND_ACCESSION>
C16836

> <PUBMED_CITATION>
31123328; 33042265

$$$$