| CAS Number | 926267-25-6 |
| Catalog Number | AG019ZWK |
| Chemical Name | 1-(3,4-diethoxybenzoyl)piperidine-3-carboxylic acid |
| IUPAC Name | 1-(3,4-diethoxybenzoyl)piperidine-3-carboxylic acid |
| InChI | InChI=1S/C17H23NO5/c1-3-22-14-8-7-12(10-15(14)23-4-2)16(19)18-9-5-6-13(11-18)17(20)21/h7-8,10,13H,3-6,9,11H2,1-2H3,(H,20,21) |
| InChI Key | RTYKDQCLHMQXOA-UHFFFAOYSA-N |
| MDL Number | MFCD09047018 |
| Molecular Formula | C17H23NO5 |
| Molecular Weight | 321.3682 |
| SMILES | CCOC1=C(OCC)C=C(C(N2CC(C(O)=O)CCC2)=O)C=C1 |
| Synonyms | 1-(3,4-DIETHOXYBENZOYL)PIPERIDINE-3-CARBOXYLIC ACID,
926267-25-6,
CTK6G1089,
AKOS002434627,
NE58961,
Z85893928,
1-[(3,4-diethoxyphenyl)carbonyl]piperidine-3-carboxylic acid,
|
| Complexity | 414 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 321.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 321.373g/mol |
| Monoisotopic Mass | 321.158g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 76.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number