| CAS Number | 827612-81-7 |
| Catalog Number | AG008IP3(AGN-PC-00UX42) |
| Chemical Name | 1-(Phenylcarbamoyl)piperidine-3-carboxylic acid |
| IUPAC Name | 1-(phenylcarbamoyl)piperidine-3-carboxylic acid |
| InChI | InChI=1S/C13H16N2O3/c16-12(17)10-5-4-8-15(9-10)13(18)14-11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H,14,18)(H,16,17) |
| InChI Key | UKCJZGIJDOLOQJ-UHFFFAOYSA-N |
| MDL Number | MFCD08261042 |
| Molecular Formula | C13H16N2O3 |
| Molecular Weight | 248.2777 |
| SMILES | O=C(C1CN(C(NC2=CC=CC=C2)=O)CCC1)O |
| Synonyms | 1-(phenylcarbamoyl)piperidine-3-carboxylic acid,
827612-81-7,
3-Piperidinecarboxylic acid, 1-[(phenylamino)carbonyl]-,
1-(anilinocarbonyl)piperidine-3-carboxylic acid,
AC1Q74HX,
SCHEMBL7298745,
CTK3D6391,
DTXSID30585355,
BBL010822,
MFCD08261042,
STK625846,
AKOS000264037,
AKOS016050064,
MCULE-2010605800,
NE26417,
EN300-23235,
J-503485,
Z199040632,
|
| Complexity | 313 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.282g/mol |
| Monoisotopic Mass | 248.116g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 69.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number