5-Methoxy-3-[4-(piperidinocarbonyl)phenyl]benzoic acid - CAS 1261969-11-2
Catalog: |
BB060070 |
Product Name: |
5-Methoxy-3-[4-(piperidinocarbonyl)phenyl]benzoic acid |
CAS: |
1261969-11-2 |
Synonyms: |
5-Methoxy-3-[4-(piperidinocarbonyl)phenyl]benzoic acid; 5-Methoxy-4'-(piperidine-1-carbonyl)-[1,1'-biphenyl]-3-carboxylic acid; 3-methoxy-5-[4-(piperidine-1-carbonyl)phenyl]benzoic acid; 5-METHOXY-3-[4-(PIPERIDINE-1-CARBONYL)PHENYL]BENZOIC ACID |
IUPAC Name: | 3-methoxy-5-[4-(piperidine-1-carbonyl)phenyl]benzoic acid |
Description: | 5-Methoxy-3-[4-(piperidinocarbonyl)phenyl]benzoic acid |
Molecular Weight: | 339.39 |
Molecular Formula: | C20H21NO4 |
Canonical SMILES: | COC1=CC(=CC(=C1)C(=O)O)C2=CC=C(C=C2)C(=O)N3CCCCC3 |
InChI: | InChI=1S/C20H21NO4/c1-25-18-12-16(11-17(13-18)20(23)24)14-5-7-15(8-6-14)19(22)21-9-3-2-4-10-21/h5-8,11-13H,2-4,9-10H2,1H3,(H,23,24) |
InChI Key: | SHYRKVICVFHZQC-UHFFFAOYSA-N |
Complexity: | 466 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 339.14705815 |
Formal Charge: | 0 |
Heavy Atom Count: | 25 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 339.14705815 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 66.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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