(2R*,4S*)-2-benzyl-1-(3,5-dihydroxybenzoyl)-N-(4-quinolylmethyl)-N-trifluoroacetyl-4-piperidinamine

HCID 56976894
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Basic information

Standard SMILES
O=C(c1cc(O)cc(O)c1)N1CC[C@H](N(Cc2ccnc3ccccc23)C(=O)C(F)(F)F)C[C@H]1Cc1ccccc1
InChIKey
MBMCFUGFLIWNJJ-BJKOFHAPSA-N
Molecular formula
C31H28F3N3O4
Average molar mass
563.6 g/mol

Names & identifiers

Preferred name
(2R*,4S*)-2-benzyl-1-(3,5-dihydroxybenzoyl)-N-(4-quinolylmethyl)-N-trifluoroacetyl-4-piperidinamine
IUPAC
N-[(2R,4S)-2-benzyl-1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-2,2,2-trifluoro-N-(quinolin-4-ylmethyl)acetamide

Names & synonyms

SCHEMBL8923734MBMCFUGFLIWNJJ-BJKOFHAPSA-N(2R*,4S*)-2-benzyl-1-(3,5-dihydroxybenzoyl)-N-(4-quinolylmethyl)-N-trifluoroacetyl-4-piperidinamine

Database identifiers

PubChem CID
56976894

Properties

Computed structural properties

XLogP
5.6
Topological polar surface area
94 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
6
Heavy atoms
41

Related reactions

6 records
New reaction record

Linked notes

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