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

C14H16ClN3OCAS 459168-41-3277.75 g/mol

Open in Covalent MOL file
NNOClNH
AmideAryl halideTertiary 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 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

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

Similar compounds

5-Chloro-1H-indole-2-carboxylic acid10517-21-251 % similar Ethyl 5-chloro-1H-indole-2-carboxylate4792-67-051 % similar 5-Chloro-2-methyl-1H-indole1075-35-041 % similar 6-Chloroindole-2-carboxylic acid ethyl ester27034-51-140 % similar 6-Chloro-1H-indole-2-carboxylic acid16732-75-539 % similar Delavirdine136817-59-937 % similar Loxapine succinate27833-64-337 % similar Clozapine5786-21-035 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Metazachlor67129-08-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook