{(2R,4S)-2-Benzyl-4-[(quinolin-4-ylmethyl)-amino]-piperidin-1-yl}-(3,5-bis-trifluoromethyl-phenyl)-methanone

HCID 10370818

기본 정보

표준 SMILES
O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[C@H](NCc2ccnc3ccccc23)C[C@H]1Cc1ccccc1
InChIKey
QPXROMJDFPQBAT-IZZNHLLZSA-N
분자식
C31H27F6N3O
평균 분자량
571.6 g/mol

이름 및 식별자

우선 이름
{(2R,4S)-2-Benzyl-4-[(quinolin-4-ylmethyl)-amino]-piperidin-1-yl}-(3,5-bis-trifluoromethyl-phenyl)-methanone
IUPAC
[(2R,4S)-2-benzyl-4-(quinolin-4-ylmethylamino)piperidin-1-yl]-[3,5-bis(trifluoromethyl)phenyl]methanone

이름 및 동의어

CHEMBL416983{(2R,4S)-2-Benzyl-4-[(quinolin-4-ylmethyl)-amino]-piperidin-1-yl}-(3,5-bis-trifluoromethyl-phenyl)-methanoneSCHEMBL8459963BDBM50287409(2R*,4S*)-2-benzyl-1-(3,5-bis-(trifluoromethyl)-benzoyl)-N-(4-quinolylmethyl)-4-piperidinamine(2R,4S)-2-benzyl-1(3,5-bis-(trifluoromethyl)benzoyl)-N-(4-quinolylmethyl)-4-piperidinamine(2R,4S)-2-benzyl-1-(3,5-bis-(trifluoromethyl)benzoyl)-N-(4-quinolylmethyl)-4-piperidinamine(2R,4S)-2-benzyl-1-(3,5-bis-(trifluoromethyl)benzoyl)-N-(4-quinolylmethyl)4-piperidinamine

데이터베이스 식별자

PubChem CID
10370818
ChEMBL
CHEMBL416983

물성

구조 계산 물성

XLogP
7.1
극성 표면적
45.2 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
9
회전 가능 결합 수
6
무거운 원자 수
41

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