Loperamide

C₂₉H₃₃ClN₂O₂CAS 53179-11-6477.05 g/mol

Open in Covalent MOL file

Alcohol Amide Aryl halide Tertiary amine

Properties

Molecular formula: C₂₉H₃₃ClN₂O₂
Molar mass: 477.05 g/mol
Exact mass: 476.2231 Da
logP: 5.09Crippen estimate
Polar surface area: 43.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 7

Identifiers

CAS number

53179-11-6

SMILES

CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1

InChIKey

RDOIQAHITMMDAJ-UHFFFAOYSA-N

InChI

InChI=1S/C29H33ClN2O2/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23/h3-16,34H,17-22H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names

1-Piperidinebutanamide, 4-(4-chlorophenyl)-4-hydroxy-N,N-dimethyl-α,α-diphenyl-
4-(4-Chlorophenyl)-4-hydroxy-N,N-dimethyl-α,α-diphenyl-1-piperidinebutanamide
ADL 2-1294

Work with Loperamide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Loperamide hydrochloride34552-83-594 % similar Haloperidol52-86-847 % similar 4-(4-Chlorophenyl)-4-hydroxypiperidine39512-49-739 % similar 1-(4-Chlorophenyl)-1-phenylethanol59767-24-737 % similar 1-(4-Chlorophenyl)cyclopropanecarboxylic acid72934-37-337 % similar 1-(4-Chlorophenyl)cyclobutanecarboxylic acid50921-39-635 % similar Mazindol22232-71-935 % similar 1-Phenylcyclohexanol1589-60-235 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook