Benzyl (S)-2-(Cyanomethyl)piperazine-1-carboxylate - CAS 2158302-01-1
Catalog: |
BB016985 |
Product Name: |
Benzyl (S)-2-(Cyanomethyl)piperazine-1-carboxylate |
CAS: |
2158302-01-1 |
Synonyms: |
(2S)-2-(cyanomethyl)-1-piperazinecarboxylic acid (phenylmethyl) ester; benzyl (2S)-2-(cyanomethyl)piperazine-1-carboxylate |
IUPAC Name: | benzyl (2S)-2-(cyanomethyl)piperazine-1-carboxylate |
Description: | Benzyl (S)-2-(Cyanomethyl)piperazine-1-carboxylate (CAS# 2158302-01-1) is a useful research chemical compound. |
Molecular Weight: | 259.30 |
Molecular Formula: | C14H17N3O2 |
Canonical SMILES: | C1CN(C(CN1)CC#N)C(=O)OCC2=CC=CC=C2 |
InChI: | InChI=1S/C14H17N3O2/c15-7-6-13-10-16-8-9-17(13)14(18)19-11-12-4-2-1-3-5-12/h1-5,13,16H,6,8-11H2/t13-/m0/s1 |
InChI Key: | QSKMFYCQRQLYMF-ZDUSSCGKSA-N |
Publication Number | Title | Priority Date |
WO-2021207172-A1 | Compounds and methods for targeted degradation of kras | 20200406 |
US-2021292330-A1 | Pyrrolidine-fused heterocycles | 20200228 |
WO-2021109737-A1 | Oxygen-containing heterocyclic compound, preparation method and application thereof | 20191202 |
WO-2021108683-A1 | Covalent ras inhibitors and uses thereof | 20191127 |
US-2021122764-A1 | Small Molecule Inhibitors of KRAS G12C Mutant | 20191028 |
Complexity: | 344 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 259.132076794 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 259.132076794 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 65.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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