(2S,5R)-5-((Benzyloxy)amino)piperidine-2-carboxamide

C₁₃H₁₉N₃O₂CAS 1416134-49-0249.31 g/mol

Open in Covalent MOL file

Amide Secondary amine

Properties

Molecular formula: C₁₃H₁₉N₃O₂
Molar mass: 249.31 g/mol
Exact mass: 249.1477 Da
logP: 1.36Crippen estimate
Polar surface area: 77.4 Å²
H-bond donors / acceptors: 4 / 4
Rotatable bonds: 5
Stereocentres: S, Rin SMILES atom order

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

1416134-49-0

SMILES

N=C(O)[C@@H]1CC[C@@H](NOCc2ccccc2)CN1

InChIKey

OWIVQKMLPQEEGV-NEPJUHHUSA-N

InChI

InChI=1S/C13H19N3O2/c14-13(17)12-7-6-11(8-15-12)16-18-9-10-4-2-1-3-5-10/h1-5,11-12,15-16H,6-9H2,(H2,14,17)/t11-,12+/m1/s1

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Names and synonyms

2 names

(2S,5R)-5-[(Phenylmethoxy)amino]-2-piperidinecarboxamide
2-Piperidinecarboxamide, 5-[(phenylmethoxy)amino]-, (2S,5R)-

Work with (2S,5R)-5-((Benzyloxy)amino)piperidine-2-carboxamide

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

Benzyl (2S,5R)-5-((benzyloxy)amino)piperidine-2-carboxylate oxalate1171080-45-761 % similar Ethyl (2S,5R)-5-((benzyloxy)amino)piperidine-2-carboxylate oxalate1416134-48-956 % similar 1,2,3,4-Tetrahydroisoquinoline-3-carboxamide112794-29-343 % similar (1R,2S,5R)-7-Oxo-6-(phenylmethoxy)-1,6-diazabicyclo[3.2.1]octane-2-carboxamide1192651-49-240 % similar Phenylalaninamide5241-58-738 % similar Benzyl carbamate621-84-138 % similar Phenylmethyl N-[(1S,2R)-1-(aminocarbonyl)-2-hydroxypropyl]carbamate49705-98-837 % similar (2R)-2-Pyrrolidinecarboxamide62937-45-536 % similar

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

Same formula

4-(4-Acetyl-1-piperazinyl)-2-(methyloxy)aniline1021426-42-5

Elsewhere

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