| CAS Number | 926238-36-0 |
| Catalog Number | AG019VCB |
| Chemical Name | 1-[(3-methylphenyl)carbamoyl]piperidine-3-carboxylic acid |
| IUPAC Name | 1-[(3-methylphenyl)carbamoyl]piperidine-3-carboxylic acid |
| InChI | InChI=1S/C14H18N2O3/c1-10-4-2-6-12(8-10)15-14(19)16-7-3-5-11(9-16)13(17)18/h2,4,6,8,11H,3,5,7,9H2,1H3,(H,15,19)(H,17,18) |
| InChI Key | MKHLPFHXPDCNNR-UHFFFAOYSA-N |
| MDL Number | MFCD09045228 |
| Molecular Formula | C14H18N2O3 |
| Molecular Weight | 262.3043 |
| SMILES | CC1=CC(NC(N2CC(C(O)=O)CCC2)=O)=CC=C1 |
| Synonyms | 1-[(3-methylphenyl)carbamoyl]piperidine-3-carboxylic acid,
926238-36-0,
AC1Q2J17,
CTK7I9420,
AKOS000129409,
AKOS022207380,
MCULE-2079081261,
NE24249,
EN300-44865,
Z540729158,
|
| Complexity | 346 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.309g/mol |
| Monoisotopic Mass | 262.132g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 69.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number