Ethyl 3-Oxo-3-(1-Cbz-3-piperidyl)propanoate - CAS 672323-13-6
Catalog: |
BB033221 |
Product Name: |
Ethyl 3-Oxo-3-(1-Cbz-3-piperidyl)propanoate |
CAS: |
672323-13-6 |
Synonyms: |
3-(3-ethoxy-1,3-dioxopropyl)-1-piperidinecarboxylic acid (phenylmethyl) ester; benzyl 3-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylate |
IUPAC Name: | benzyl 3-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylate |
Description: | Ethyl 3-Oxo-3-(1-Cbz-3-piperidyl)propanoate (CAS# 672323-13-6 ) is a useful research chemical. |
Molecular Weight: | 333.38 |
Molecular Formula: | C18H23NO5 |
Canonical SMILES: | CCOC(=O)CC(=O)C1CCCN(C1)C(=O)OCC2=CC=CC=C2 |
InChI: | InChI=1S/C18H23NO5/c1-2-23-17(21)11-16(20)15-9-6-10-19(12-15)18(22)24-13-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3 |
InChI Key: | FYACXTJMCLJTLN-UHFFFAOYSA-N |
LogP: | 2.49540 |
Publication Number | Title | Priority Date |
US-2014107151-A1 | Tyrosine kinase inhibitors | 20110517 |
WO-2012158810-A1 | Tyrosine kinase inhibitors | 20110517 |
EP-2464647-A1 | Azaindazoles as btk kinase modulators and use thereof | 20090811 |
EP-2789615-A1 | Azaindazoles as Btk kinase modulators and use thereof | 20090811 |
EP-2789615-B1 | Azaindazoles as Btk kinase modulators and use thereof | 20090811 |
Complexity: | 445 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 333.15762283 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 333.15762283 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 72.9 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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