chempirical

Unc 669

C15H20BrN3OCAS 1314241-44-5338.25 g/mol

Open in Covalent MOL file
NNONBr
AmideAryl halideTertiary amine

Properties

Molecular formula
C15H20BrN3O
Molar mass
338.25 g/mol
Exact mass
337.0790 Da
logP
2.54Crippen estimate
Polar surface area
36.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
1314241-44-5
SMILES
C1CCN(C1)C2CCN(CC2)C(=O)C3=CC(=CN=C3)Br
InChIKey
CQERVFFAOOUFEQ-UHFFFAOYSA-N
InChI
InChI=1S/C15H20BrN3O/c16-13-9-12(10-17-11-13)15(20)19-7-3-14(4-8-19)18-5-1-2-6-18/h9-11,14H,1-8H2

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Names and synonyms

1 names
  • (5-Bromopyridin-3-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

Work with Unc 669

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-Bromonicotinic acid20826-04-440 % similar 5-Bromonicotinohydrazide112193-41-638 % similar 1-(Quinoxalin-6-ylcarbonyl)piperidine154235-83-335 % similar 5-Bromonicotinamide28733-43-934 % similar 3,5-Dibromopyridine625-92-333 % similar 1-Benzoyl-4-piperidinecarboxylic acid5274-99-732 % similar 3-(Benzyloxy)-5-bromopyridine130722-95-131 % similar B-[4-(1-Piperidinylcarbonyl)phenyl]boronic acid389621-83-431 % similar

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

Elsewhere

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