| CAS Number | 147636-35-9 |
| Catalog Number | AG019J5Z(AGN-PC-0KCAQI) |
| Chemical Name | 1-(Phenylcarbamoyl)piperidine-4-carboxylic acid |
| IUPAC Name | 1-(phenylcarbamoyl)piperidine-4-carboxylic acid |
| InChI | InChI=1S/C13H16N2O3/c16-12(17)10-6-8-15(9-7-10)13(18)14-11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,14,18)(H,16,17) |
| InChI Key | FQYHUUNCGUFBAM-UHFFFAOYSA-N |
| MDL Number | MFCD03015374 |
| Molecular Formula | C13H16N2O3 |
| Molecular Weight | 248.2777 |
| SMILES | OC(C1CCN(C(NC2=CC=CC=C2)=O)CC1)=O |
| Synonyms | 1-(phenylcarbamoyl)piperidine-4-carboxylic Acid,
147636-35-9,
1-(anilinocarbonyl)piperidine-4-carboxylic acid,
AC1Q74LV,
AC1M29D3,
SCHEMBL7313251,
ZINC2649920,
AKOS000117691,
MCULE-2360831802,
NE40514,
ST51024084,
EN300-08640,
1-(N-phenylcarbamoyl)piperidine-4-carboxylic acid,
SR-01000050422,
SR-01000050422-1,
Z56968575,
1-(anilinocarbonyl)piperidine-4-carboxylic acid, AldrichCPR,
CID2113075,
|
| Complexity | 305 |
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number