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

기본 정보

표준 SMILES: COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CCN(CCCOc2ccc(F)cc2)C[C@H]1OC
InChIKey: DCSUBABJRXZOMT-RBBKRZOGSA-N
분자식: C23H29ClFN3O4
평균 분자량: 465.9 g/mol

개요

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

이름 및 식별자

우선 이름: 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

이름 및 동의어

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

이름 더 보기

MFCD00869327Prestwick3_000430SR-01000597514-1BSPBio_000420MLS002153807BPBio1_000462SCHEMBL1759279CHEBI:93034

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 86.1 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 7
회전 가능 결합 수: 9
무거운 원자 수: 32
형식 전하: 0
복잡도: 581

화학 및 산업

약리 정보

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