4-Boc-1-Cbz-piperazine-2-carbonitrile - CAS 955016-62-3
Catalog: |
BB041734 |
Product Name: |
4-Boc-1-Cbz-piperazine-2-carbonitrile |
CAS: |
955016-62-3 |
Synonyms: |
2-cyanopiperazine-1,4-dicarboxylic acid O4-tert-butyl ester O1-(phenylmethyl) ester; 1-O-benzyl 4-O-tert-butyl 2-cyanopiperazine-1,4-dicarboxylate |
IUPAC Name: | 1-O-benzyl 4-O-tert-butyl 2-cyanopiperazine-1,4-dicarboxylate |
Description: | 4-Boc-1-Cbz-piperazine-2-carbonitrile (CAS# 955016-62-3) is a useful research chemical compound. |
Molecular Weight: | 345.39 |
Molecular Formula: | C18H23N3O4 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCN(C(C1)C#N)C(=O)OCC2=CC=CC=C2 |
InChI: | InChI=1S/C18H23N3O4/c1-18(2,3)25-16(22)20-9-10-21(15(11-19)12-20)17(23)24-13-14-7-5-4-6-8-14/h4-8,15H,9-10,12-13H2,1-3H3 |
InChI Key: | INPROUMRGMMTSE-UHFFFAOYSA-N |
LogP: | 2.64388 |
Publication Number | Title | Priority Date |
EP-3558980-A1 | Compounds for use in the treatment of kinetoplastid infection | 20161223 |
US-2020095232-A1 | Compounds for use in the treatment of kinetoplastid infection | 20161223 |
WO-2018115275-A1 | Compounds for use in the treatment of kinetoplastid infection | 20161223 |
US-10815222-B2 | Compounds for use in the treatment of kinetoplastid infection | 20161223 |
EP-3558980-B1 | Compounds for use in the treatment of kinetoplastid infection | 20161223 |
Complexity: | 528 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 345.16885622 |
Formal Charge: | 0 |
Heavy Atom Count: | 25 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 345.16885622 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 82.9 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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