4-amino-5-chloro-N-[(3R,4S)-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide (HCID 5311047)

基本情報

標準SMILES: COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CCN(CCCOc2ccc(F)cc2)C[C@H]1OC
InChIKey: DCSUBABJRXZOMT-RBBKRZOGSA-N
分子式: C23H29ClFN3O4
平均分子量: 465.9 g/mol

概要

4-amino-5-chloro-N-[(3R,4S)-1-[3-(4-fluorophenoxy)propyl]-3-methoxy-4-piperidinyl]-2-methoxybenzamide is a member of benzamides.

名称と識別子

優先名称: 4-amino-5-chloro-N-[(3R,4S)-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide
IUPAC: 4-amino-5-chloro-N-[(3R,4S)-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide

名称と別名

4-amino-5-chloro-N-[(3R,4S)-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamideCHEMBL74656C23H29ClFN3O44-Amino-5-chloro-N-{(3R,4S)-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl}-2-methoxybenzamide4-Amino-5-chloro-N-((3R,4S)-1-(3-(4-fluorophenoxy)propyl)-3-methoxypiperidin-4-yl)-2-methoxybenzamide86719-31-5rel-4-Amino-5-chloro-N-((3R,4S)-1-(3-(4-fluorophenoxy)propyl)-3-methoxypiperidin-4-yl)-2-methoxybenzamideSCHEMBL16132AcpulsiCisapride impurityNCGC00016944-01CAS-81098-60-4

名称をさらに表示

MFCD00869327Prestwick3_000430SR-01000597514-1BSPBio_000420MLS002153807BPBio1_000462SCHEMBL1759279CHEBI:93034

データベース識別子

PubChem CID: 5311047
ChEMBL: CHEMBL74656
ChEBI: CHEBI:93034
Nikkaji: J239.728E

物性

構造計算による物性

XLogP: 3.4
極性表面積: 86.1 Å²
水素結合供与体数: 2
水素結合受容体数: 7
回転可能結合数: 9
重原子数: 32
形式電荷: 0
複雑度: 581

化学と産業

薬理情報

Metabolism/MetabolitesCisapride has known human metabolites that include Norcisapride, 4-Fluoro-2- hydroxycisapride, 3-Fluoro-4-hydroxycisapride, and 3-(4-fluorophenoxy)propanal.