1-(2-(4-(4-Fluorobenzoyl)piperidin-1-yl)ethyl)-3,3-dimethylindolin-2-one hydrochloride

C₂₄H₂₈ClFN₂O₂CAS 192927-92-7430.95 g/mol

Open in Covalent MOL file

Amide Aryl halide Ketone Lactam Tertiary amine

Properties

Molecular formula: C₂₄H₂₈ClFN₂O₂
Molar mass: 430.95 g/mol
Exact mass: 430.1823 Da
logP: 4.47Crippen estimate
Polar surface area: 40.6 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 5

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

192927-92-7

SMILES

CC1(C2=CC=CC=C2N(C1=O)CCN3CCC(CC3)C(=O)C4=CC=C(C=C4)F)C.Cl

InChIKey

BOCLFQZPFYNVFD-UHFFFAOYSA-N

InChI

InChI=1S/C24H27FN2O2.ClH/c1-24(2)20-5-3-4-6-21(20)27(23(24)29)16-15-26-13-11-18(12-14-26)22(28)17-7-9-19(25)10-8-17;/h3-10,18H,11-16H2,1-2H3;1H

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Names and synonyms

1 names

Ly310762

Work with 1-(2-(4-(4-Fluorobenzoyl)piperidin-1-yl)ethyl)-3,3-dimethylindolin-2-one hydrochloride

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

p-Fluorophenyl 4-piperidyl ketone hydrochloride25519-78-244 % similar Cyclopropyl(4-fluorophenyl)methanone772-31-643 % similar Ketanserin74050-98-942 % similar 4-(4-Fluorobenzoyl)piperidine56346-57-739 % similar Ketanserin tartrate83846-83-738 % similar Fluanisone1480-19-934 % similar Cyclobutyl phenyl ketone5407-98-733 % similar Cyclopentyl phenyl ketone5422-88-833 % similar

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

Elsewhere

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