| CAS Number | 855715-33-2 |
| Catalog Number | AG019JXN |
| Chemical Name | 2-(2-Methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxylic acid |
| IUPAC Name | 2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxylic acid |
| InChI | InChI=1S/C20H21NO4/c1-13-7-9-14(10-8-13)21-18(22)12-11-16(20(23)24)19(21)15-5-3-4-6-17(15)25-2/h3-10,16,19H,11-12H2,1-2H3,(H,23,24) |
| InChI Key | MSAZOYMMVYAYHB-UHFFFAOYSA-N |
| MDL Number | MFCD06655103 |
| Molecular Formula | C20H21NO4 |
| Molecular Weight | 339.3850 |
| SMILES | COC1=C(C2N(C3=CC=C(C)C=C3)C(=O)CCC2C(O)=O)C=CC=C1 |
| Synonyms | 2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxylic acid,
855715-33-2,
AC1Q4EEH,
AC1MWO20,
CTK7B0818,
AKOS034449684,
MCULE-5522070154,
NE34897,
EN300-10669,
Z56347501,
2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxylic acid, Mixture of diastereomers,
CID3752344,
2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxo-piperidine-3-carboxylic Acid,
|
| Complexity | 486 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 339.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 339.391g/mol |
| Monoisotopic Mass | 339.147g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number