(5-Chloro-1H-indol-2-yl)(4-methyl-1-piperazinyl)methanone

C₁₄H₁₆ClN₃OCAS 459168-41-3277.75 g/mol

Open in Covalent MOL file

Amide Halogen Tertiary Amine

Properties

Molecular formula: C₁₄H₁₆ClN₃O
Molar mass: 277.75 g/mol
Exact mass: 277.0982 Da
logP: 2.21Crippen estimate
Polar surface area: 39.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Identifiers

CAS number

459168-41-3

SMILES

CN1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1

InChIKey

HUQJRYMLJBBEDO-UHFFFAOYSA-N

InChI

InChI=1S/C14H16ClN3O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3

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

Names and synonyms

4 names

JNJ 7777120
Methanone, (5-chloro-1H-indol-2-yl)(4-methyl-1-piperazinyl)-
Piperazine, 1-[(5-chloro-1H-indol-2-yl)carbonyl]-4-methyl-
(5-Chloro-1H-indol-2-yl)(4-methylpiperazin-1-yl)methanone

Work with (5-Chloro-1H-indol-2-yl)(4-methyl-1-piperazinyl)methanone

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

Same formula

Metazachlor67129-08-2

Elsewhere

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