| CAS Number | 1381944-32-6 |
| Catalog Number | AG00185W(AGN-PC-0WRA82) |
| Chemical Name | (3-{4-[(Piperidin-1-yl)carbonyl]phenyl}phenyl)acetic acid |
| IUPAC Name | 2-[3-[4-(piperidine-1-carbonyl)phenyl]phenyl]acetic acid |
| InChI | InChI=1S/C20H21NO3/c22-19(23)14-15-5-4-6-18(13-15)16-7-9-17(10-8-16)20(24)21-11-2-1-3-12-21/h4-10,13H,1-3,11-12,14H2,(H,22,23) |
| InChI Key | KMYKGIFEUAGYQU-UHFFFAOYSA-N |
| MDL Number | MFCD22375065 |
| Molecular Formula | C20H21NO3 |
| Molecular Weight | 323.3856 |
| SMILES | OC(=O)Cc1cccc(c1)c1ccc(cc1)C(=O)N1CCCCC1 |
| Synonyms | 1381944-32-6,
(3-{4-[(piperidin-1-yl)carbonyl]phenyl}phenyl)acetic acid,
(3-(4-[(PIPERIDIN-1-YL)CARBONYL]PHENYL)PHENYL)ACETIC ACID,
2-(4'-(Piperidine-1-carbonyl)-[1,1'-biphenyl]-3-yl)acetic acid,
ACMC-209cfr,
CTK8B0705,
DTXSID20743028,
ANW-20389,
MFCD22375065,
ZINC85477282,
TC-109134,
K-4467,
[1,1'-Biphenyl]-3-acetic acid, 4'-(1-piperidinylcarbonyl)-,
[4'-(Piperidine-1-carbonyl)[1,1'-biphenyl]-3-yl]acetic acid,
|
| Complexity | 436 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 323.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 323.392g/mol |
| Monoisotopic Mass | 323.152g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number