Ethyl (3-Oxo-2-piperazinyl)acetate - CAS 33422-35-4
Catalog: |
BB021709 |
Product Name: |
Ethyl (3-Oxo-2-piperazinyl)acetate |
CAS: |
33422-35-4 |
Synonyms: |
2-(3-oxo-2-piperazinyl)acetic acid ethyl ester; ethyl 2-(3-oxopiperazin-2-yl)acetate |
IUPAC Name: | ethyl 2-(3-oxopiperazin-2-yl)acetate |
Description: | Ethyl (3-Oxo-2-piperazinyl)acetate (CAS# 33422-35-4) is a useful research chemical. |
Molecular Weight: | 186.21 |
Molecular Formula: | C8H14N2O3 |
Canonical SMILES: | CCOC(=O)CC1C(=O)NCCN1 |
InChI: | InChI=1S/C8H14N2O3/c1-2-13-7(11)5-6-8(12)10-4-3-9-6/h6,9H,2-5H2,1H3,(H,10,12) |
InChI Key: | HNYRNJAZRKCHSC-UHFFFAOYSA-N |
Boiling Point: | 360.6 °C at 760 mmHg |
Density: | 1.101 g/cm3 |
LogP: | -0.31480 |
Publication Number | Title | Priority Date |
WO-2019215341-A1 | Furin inhibitors | 20180511 |
AU-2019267166-A1 | Furin inhibitors | 20180511 |
CN-112384509-A | Furin inhibitors | 20180511 |
EP-3790871-A1 | Furin inhibitors | 20180511 |
KR-20210021298-A | Purine inhibitor | 20180511 |
Complexity: | 206 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 186.10044231 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.10044231 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 67.4 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.9 |
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