chempirical

1-Fmoc-4-piperidone

C20H19NO3CAS 204376-55-6321.38 g/mol

Open in Covalent MOL file
NOOO
CarbamateKetone

Properties

Molecular formula
C20H19NO3
Molar mass
321.38 g/mol
Exact mass
321.1365 Da
logP
3.60Crippen estimate
Polar surface area
46.6 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
204376-55-6
SMILES
C1CN(CCC1=O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChIKey
AMWDMRLGMSQZTK-UHFFFAOYSA-N
InChI
InChI=1S/C20H19NO3/c22-14-9-11-21(12-10-14)20(23)24-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,19H,9-13H2

Weigh it out

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

Work with 1-Fmoc-4-piperidone

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

Fmoc-isonipecotic acid148928-15-864 % similar 1-[(9H-Fluoren-9-ylmethoxy)carbonyl]-4-piperidineacetic acid180181-05-961 % similar 1-(9H-Fluoren-9-ylmethyl) 1,3-azetidinedicarboxylate193693-64-060 % similar Benzyl 4-oxo-1-piperidinecarboxylate19099-93-556 % similar 1-(((9H-Fluoren-9-yl)methoxy)carbonyl)piperidine-3-carboxylic acid158922-07-756 % similar (R)-1-Fmoc-piperidine-3-carboxylic acid193693-67-356 % similar (S)-N-Fmoc-azetidine-2-carboxylic acid136552-06-254 % similar Fluorenylmethyloxycarbonyl chloride28920-43-652 % similar

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

Same formula

Pyriproxyfen95737-68-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook