1-[2-[4-(4-Fluorobenzoyl)piperidin-1-yl]ethyl]-3,3-dimethylindol-2-one
基本情報
- CAS
379215-96-0- 標準SMILES
CC1(C)C(=O)N(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)c2ccccc21- InChIKey
KDXISMANFPJVJY-UHFFFAOYSA-N- 分子式
- C24H27FN2O2
- 平均分子量
- 394.5 g/mol
- 単同位体質量
- 394.20565627
概要
LY-310762 is a member of the class of oxindoles that is 1-ethyl-3,3-dimethyl-1,3-dihydro-2H-indol-2-one in which the ethyl group has been substituted at position 2 by a 4-(p-fluorobenzoyl)piperidin-1-yl group. It is a potent and selective antagonist for the 5-hydroxytryptamine 1D (5-HT1D) receptor. It has a role as a serotonergic antagonist and a receptor modulator. It is a member of piperidines, a member of oxindoles, a tertiary amino compound, an aromatic ketone and a member of monofluorobenzenes. It is a conjugate base of a LY-310762(1+).
名称と識別子
- 優先名称
- 1-[2-[4-(4-Fluorobenzoyl)piperidin-1-yl]ethyl]-3,3-dimethylindol-2-one
- IUPAC
- 1-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-3,3-dimethylindol-2-one
- 英語名
- 2H-Indol-2-one, 1-[2-[4-(4-fluorobenzoyl)-1-piperidinyl]ethyl]-1,3-dihydro-3,3-diMethyl-
- 分子式
- C24H27FN2O2
- 分子量
- 394.48
名称と別名
379215-96-01-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-3,3-dimethylindol-2-oneLY-310,7621-{2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl}-3,3-dimethyl-1,3-dihydro-2H-indol-2-oneLY 310762LY-3107621-[2-[4-(4-fluorobenzoyl)-1-piperidinyl]ethyl]-1,3-dihydro-3,3-dimethyl-2h-indol-2-one1-(2-(4-(4-FLUOROBENZOYL)-1-PIPERIDINYL)ETHYL)-1,3-DIHYDRO-3,3-DIMETHYL-2H-INDOL-2-ONENCGC00015601-01Lopac-L-2536Lopac0_000658SCHEMBL7059209
名称をさらに表示
2H-Indol-2-one, 1-[2-[4-(4-fluorobenzoyl)-1-piperidinyl]ethyl]-1,3-dihydro-3,3-diMethyl-
CHEMBL1400238GTPL13560CHEBI:1409372M784SB75MDTXSID701126571LY-310762 FREE BASECCG-204744SDCCGSBI-0050637.P002
データベース識別子
- CAS
379215-96-0
物性
構造計算による物性
- XLogP
- 3.9
- 極性表面積
- 40.6 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 4
- 回転可能結合数
- 5
- 重原子数
- 29
- 形式電荷
- 0
- 複雑度
- 606
物理化学的性質
- 比重(密度)
- 1.171 · 1.171
関連反応
0 件
現在のフィルター条件では反応記録がありません。
化合物ノート
読み込み中…