8-Benzyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one - CAS 974-41-4
Catalog: |
BB042051 |
Product Name: |
8-Benzyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one |
CAS: |
974-41-4 |
Synonyms: |
1-phenyl-8-(phenylmethyl)-1,3,8-triazaspiro[4.5]decan-4-one; 8-benzyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one |
IUPAC Name: | 8-benzyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one |
Description: | 8-Benzyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (CAS# 974-41-4) is a useful research chemical. |
Molecular Weight: | 321.42 |
Molecular Formula: | C20H23N3O |
Canonical SMILES: | C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CC4=CC=CC=C4 |
InChI: | InChI=1S/C20H23N3O/c24-19-20(23(16-21-19)18-9-5-2-6-10-18)11-13-22(14-12-20)15-17-7-3-1-4-8-17/h1-10H,11-16H2,(H,21,24) |
InChI Key: | QMECPMOWMNRLSL-UHFFFAOYSA-N |
Boiling Point: | 538 °C at 760 mmHg |
Density: | 1.22 g/cm3 |
LogP: | 2.94680 |
Publication Number | Title | Priority Date |
WO-2020021378-A1 | 1,3,8-triazaspiro compounds and their use as medicaments for the treatment of reperfusion injury | 20180727 |
EP-3829579-A1 | 1,3,8-triazaspiro compounds and their use as medicaments for the treatment of reperfusion injury | 20180727 |
JP-2018519317-A | Triaza-spirodecanone as a DDR1 inhibitor | 20150703 |
US-10239876-B2 | Triaza-spirodecanones as DDR1 inhibitors | 20150703 |
US-10435407-B2 | Triaza-spirodecanones as DDR1 inhibitors | 20150703 |
PMID | Publication Date | Title | Journal |
17289383 | 20070415 | Synthesis and structure-activity relationships of N-substituted spiropiperidines as nociceptin receptor ligands | Bioorganic & medicinal chemistry letters |
16246557 | 20060115 | Discovery of N-(2-aryl-cyclohexyl) substituted spiropiperidines as a novel class of GlyT1 inhibitors | Bioorganic & medicinal chemistry letters |
Complexity: | 432 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 321.184112366 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 321.184112366 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 35.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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