chempirical

2-(1-Piperazinyl)-1-(1-pyrrolidinyl)ethanone

C10H19N3OCAS 39890-45-4197.28 g/mol

Open in Covalent MOL file
ONNHN
AmideSecondary amineTertiary amine

Properties

Molecular formula
C10H19N3O
Molar mass
197.28 g/mol
Exact mass
197.1528 Da
Melting point
90 °C
logP
-0.49Crippen estimate
Polar surface area
35.6 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
39890-45-4
SMILES
O=C(CN1CCNCC1)N1CCCC1
InChIKey
KYBCXTTWIOZBNR-UHFFFAOYSA-N
InChI
InChI=1S/C10H19N3O/c14-10(13-5-1-2-6-13)9-12-7-3-11-4-8-12/h11H,1-9H2

Weigh it out

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

Names and synonyms

14 names · show all
  • Ethanone, 2-(1-piperazinyl)-1-(1-pyrrolidinyl)-
  • Pyrrolidine, 1-(1-piperazinylacetyl)-
  • 1-Pyrrolidinocarbonylmethylpiperazine
  • 1-(1-Pyrrolidinylcarbonylmethyl)piperazine
  • 1-[(1-Piperazinylmethyl)carbonyl]pyrrolidine
  • N-Pyrrolidinocarbonylmethylpiperazine
  • 1-(1-Piperazinylacetyl)pyrrolidine
  • N-[2-(1-Piperazinyl)acetyl]pyrrolidine
  • 2-(Piperazin-1-yl)-1-(pyrrolidin-1-yl)ethanone
  • 1-(2-Oxo-2-pyrrolidin-1-ylethyl)piperazine
  • NSC 330748
  • 1-[2-(Piperazin-1-yl)acetyl]pyrrolidine
  • 1-(2-(Pyrrolidin-1-yl)-2-oxoethyl)piperazine
  • 2-(Piperazin-1-yl)-1-(pyrrolidin-1-yl)ethan-1-one

Work with 2-(1-Piperazinyl)-1-(1-pyrrolidinyl)ethanone

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

4-(1-Piperazinylacetyl)morpholine39890-46-570 % similar 2-Chloro-1-(1-pyrrolidinyl)ethanone20266-00-645 % similar 1-[2-(1-Pyrrolidinyl)ethyl]piperazine22763-69-544 % similar 2-Chloro-1-(1-piperidinyl)ethanone1440-60-443 % similar 1-(Ethoxycarbonylmethyl)piperazine40004-08-842 % similar β-Oxo-1-pyrrolidinepropanenitrile14227-95-339 % similar β-Oxo-1-piperidinepropanenitrile15029-30-838 % similar 1-Acetylpiperazine13889-98-038 % similar

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

Elsewhere

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