chempirical

3-Methyl 1-(phenylmethyl) 1,3-piperazinedicarboxylate

C14H18N2O4CAS 129799-11-7278.31 g/mol

Open in Covalent MOL file
OONOOHN
CarbamateEsterSecondary amine

Properties

Molecular formula
C14H18N2O4
Molar mass
278.31 g/mol
Exact mass
278.1267 Da
logP
0.77Crippen estimate
Polar surface area
67.9 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
3

Identifiers

CAS number
129799-11-7
SMILES
COC(=O)C1CN(C(=O)OCc2ccccc2)CCN1
InChIKey
FYKXWBBQYZXPFB-UHFFFAOYSA-N
InChI
InChI=1S/C14H18N2O4/c1-19-13(17)12-9-16(8-7-15-12)14(18)20-10-11-5-3-2-4-6-11/h2-6,12,15H,7-10H2,1H3

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

Names and synonyms

4 names
  • 1,3-Piperazinedicarboxylic acid, 3-methyl 1-(phenylmethyl) ester
  • Methyl 4-(benzyloxycarbonyl)piperazine-2-carboxylate
  • 1-Benzyl 3-methyl piperazine-1,3-dicarboxylate
  • 1-O-Benzyl 3-O-methyl piperazine-1,3-dicarboxylate

Work with 3-Methyl 1-(phenylmethyl) 1,3-piperazinedicarboxylate

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

Phenylmethyl (3S)-3-methyl-1-piperazinecarboxylate612493-87-566 % similar Benzyl (5r)-5-methyl-1,4-diazepane-1-carboxylate1001401-60-058 % similar 1-tert-Butyl 3-methyl piperazine-1,3-dicarboxylate129799-08-258 % similar 1-(1,1-Dimethylethyl) 3-methyl (3S)-1,3-piperazinedicarboxylate314741-39-458 % similar 1-(1,1-Dimethylethyl) 3-methyl (3R)-1,3-piperazinedicarboxylate438631-77-758 % similar Benzyl 1,4-diazepane-1-carboxylate117009-97-953 % similar 2-Methyl 1-(phenylmethyl) (2S,4R)-4-hydroxy-1,2-pyrrolidinedicarboxylate64187-48-052 % similar (R)-(-)-1-CBZ-3-pyrrolidinol100858-33-151 % similar

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

Same formula

1-Benzyl 2-methyl piperazine-1,2-dicarboxylate126937-43-7 Oxadixyl77732-09-3

Elsewhere

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