chempirical

N,N-Diethyl-1-piperazinecarboxamide

C9H19N3OCAS 119-54-0185.27 g/mol

Open in Covalent MOL file
NONNH
Secondary amineUrea

Properties

Molecular formula
C9H19N3O
Molar mass
185.27 g/mol
Exact mass
185.1528 Da
Boiling point
113.5–115.5 °C (at 3 Torr)
logP
0.35Crippen estimate
Polar surface area
35.6 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
119-54-0
SMILES
CCN(CC)C(=O)N1CCNCC1
InChIKey
IWJSZNIFIDAYDY-UHFFFAOYSA-N
InChI
InChI=1S/C9H19N3O/c1-3-11(4-2)9(13)12-7-5-10-6-8-12/h10H,3-8H2,1-2H3

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Names and synonyms

6 names
  • 1-Piperazinecarboxamide, N,N-diethyl-
  • Subdamine
  • 1-Diethylcarbamoylpiperazine
  • 1-(Diethylcarbamyl)piperazine
  • N,N-Diethylcarbamoylpiperazine
  • 1-(N,N-Diethylaminocarbonyl)piperazine

Work with N,N-Diethyl-1-piperazinecarboxamide

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

N,N,N′,N′-Tetraethylurea1187-03-765 % similar 1-Acetylpiperazine13889-98-048 % similar Ethyl 1-piperazinecarboxylate120-43-445 % similar 1-Ethyl-2,3-piperazinedione59702-31-745 % similar Tetrabutylurea4559-86-845 % similar 1-Ethylpiperazine5308-25-844 % similar Diethylcarbamazine citrate1642-54-240 % similar N-Boc-piperazine57260-71-640 % similar

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

Elsewhere

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