4-Cbz-1-methyl-2-piperazinone - CAS 685520-31-4
Catalog: |
BB033581 |
Product Name: |
4-Cbz-1-methyl-2-piperazinone |
CAS: |
685520-31-4 |
Synonyms: |
4-methyl-3-oxo-1-piperazinecarboxylic acid (phenylmethyl) ester; benzyl 4-methyl-3-oxopiperazine-1-carboxylate |
IUPAC Name: | benzyl 4-methyl-3-oxopiperazine-1-carboxylate |
Description: | 4-Cbz-1-methyl-2-piperazinone (CAS# 685520-31-4 ) is a useful research chemical. |
Molecular Weight: | 248.28 |
Molecular Formula: | C13H16N2O3 |
Canonical SMILES: | CN1CCN(CC1=O)C(=O)OCC2=CC=CC=C2 |
InChI: | InChI=1S/C13H16N2O3/c1-14-7-8-15(9-12(14)16)13(17)18-10-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3 |
InChI Key: | DFPKDZCTRBMEPV-UHFFFAOYSA-N |
LogP: | 0.97300 |
Publication Number | Title | Priority Date |
CN-110577515-A | Synthesis method of 4- (azetidin-3-yl) -1-methylpiperazine-2-one dihydrochloride | 20190902 |
US-2015336984-A1 | Benzoxazine oxazolidinone compound, preparation method and application thereof | 20121226 |
US-9416144-B2 | Benzoxazine oxazolidinone compound, preparation method and application thereof | 20121226 |
EP-2766346-B1 | Substituted tetrahydroisoquinoline compounds as factor xia inhibitors | 20111014 |
WO-2013056060-A1 | Substituted tetrahydroisoquinoline compounds as factor xia inhibitors | 20111014 |
Complexity: | 313 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 248.11609238 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 248.11609238 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 49.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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