6-[2-[4-(Acetyl-N-methylamino)-4-phenylpiperid-1-yl]ethyl]-4-benzyl-6-(3,4-dichlorophenyl)morpholin-3-one hydrochloride monohydrate

HCID 21200596

Basic information

Standard SMILES
CC(=O)N(C)C1(c2ccccc2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)CN(Cc3ccccc3)C(=O)CO2)CC1.Cl.O
InChIKey
HSXGYUXZOUWGBU-UHFFFAOYSA-N
Molecular formula
C33H40Cl3N3O4
Average molar mass
649 g/mol
Monoisotopic mass
647.20844

Names & identifiers

Preferred name
6-[2-[4-(Acetyl-N-methylamino)-4-phenylpiperid-1-yl]ethyl]-4-benzyl-6-(3,4-dichlorophenyl)morpholin-3-one hydrochloride monohydrate
IUPAC
N-[1-[2-[4-benzyl-2-(3,4-dichlorophenyl)-5-oxomorpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]-N-methylacetamide;hydrate;hydrochloride

Names & synonyms

SCHEMBL7751956HSXGYUXZOUWGBU-UHFFFAOYSA-N6-[2-[4-(Acetyl-N-methylamino)-4-phenylpiperid-1-yl]ethyl]-4-benzyl-6-(3,4-dichlorophenyl)morpholin-3-one hydrochloride monohydrate

Database identifiers

PubChem CID
21200596

Properties

Computed structural properties

Topological polar surface area
54.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
43

Related reactions

6 records

Compound notes

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