4-(4-Nitrophenyl)-2-piperazinone - CAS 223785-99-7
Catalog: |
BB017567 |
Product Name: |
4-(4-Nitrophenyl)-2-piperazinone |
CAS: |
223785-99-7 |
Synonyms: |
4-(4-nitrophenyl)-2-piperazinone; 4-(4-nitrophenyl)piperazin-2-one |
IUPAC Name: | 4-(4-nitrophenyl)piperazin-2-one |
Description: | 4-(4-Nitrophenyl)-2-piperazinone (CAS# 223785-99-7) is a useful research chemical. |
Molecular Weight: | 221.21 |
Molecular Formula: | C10H11N3O3 |
Canonical SMILES: | C1CN(CC(=O)N1)C2=CC=C(C=C2)[N+](=O)[O-] |
InChI: | InChI=1S/C10H11N3O3/c14-10-7-12(6-5-11-10)8-1-3-9(4-2-8)13(15)16/h1-4H,5-7H2,(H,11,14) |
InChI Key: | XJZGRBZMXHGFCB-UHFFFAOYSA-N |
LogP: | 1.39510 |
Publication Number | Title | Priority Date |
WO-2016107603-A1 | Substituted nitrogen-containing heterocyclic derivatives and applications thereof | 20150101 |
AU-2005258410-A1 | Thienopyrazole derivative having pde7 inhibitory activity | 20040701 |
AU-2005258410-B2 | Thienopyrazole derivative having PDE7 inhibitory activity | 20040701 |
CA-2569530-A1 | Thienopyrazole derivative having pde 7 inhibitory activity | 20040701 |
CN-102827082-B | Thienopyrazole derivative having PDE7 inhibitory activity | 20040701 |
Complexity: | 282 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 221.08004122 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 221.08004122 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 78.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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