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Home > Other Heterocycles > 974-41-4
974-41-4 | 1,3,8-Triazaspiro[4.5]decan-4-one, 1-phenyl-8-(phenylmethyl)-
CAS No: 974-41-4 Catalog No: AG00IJXQ MDL No:MFCD02929369
Product Description
Catalog Number:
AG00IJXQ
Chemical Name:
1,3,8-Triazaspiro[4.5]decan-4-one, 1-phenyl-8-(phenylmethyl)-
CAS Number:
974-41-4
Molecular Formula:
C20H23N3O
Molecular Weight:
321.4161
MDL Number:
MFCD02929369
IUPAC Name:
8-benzyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
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
SMILES:
O=C1NCN(C21CCN(CC2)Cc1ccccc1)c1ccccc1
EC Number:
213-549-8
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.184g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
321.424g/mol
Monoisotopic Mass:
321.184g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Synthesis and structure-activity relationships of N-substituted spiropiperidines as nociceptin receptor ligands. | Bioorganic & medicinal chemistry letters 20070415 |
| Discovery of N-(2-aryl-cyclohexyl) substituted spiropiperidines as a novel class of GlyT1 inhibitors. | Bioorganic & medicinal chemistry letters 20060115 |
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