chempirical

1-(2-Furoyl)piperazine

C9H12N2O2CAS 40172-95-0180.21 g/mol

Open in Covalent MOL file
OONNH
AmideSecondary amine

Properties

Molecular formula
C9H12N2O2
Molar mass
180.21 g/mol
Exact mass
180.0899 Da
Boiling point
137–140 °C (at 0.1 Torr)
logP
0.33Crippen estimate
Polar surface area
45.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 91 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
40172-95-0
SMILES
O=C(c1ccco1)N1CCNCC1
InChIKey
SADPINFEWFPMEA-UHFFFAOYSA-N
InChI
InChI=1S/C9H12N2O2/c12-9(8-2-1-7-13-8)11-5-3-10-4-6-11/h1-2,7,10H,3-6H2

Weigh it out

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

Names and synonyms

12 names
  • Methanone, 2-furanyl-1-piperazinyl-
  • Piperazine, 1-(2-furanylcarbonyl)-
  • 2-Furanyl-1-piperazinylmethanone
  • N-(2-Furoyl)piperazine
  • 1-(2-Furylcarbonyl)piperazine
  • 1-(2-Furanylcarbonyl)piperazine
  • 1-(Furan-2-carbonyl)piperazine
  • (Furan-2-yl)(piperazin-1-yl)methanone
  • 4-(Furan-2-ylcarbonyl)piperazine
  • N-(2-Furancarbonyl)piperazine
  • N-(Furan-2-oyl)piperazine
  • 1-(2-Furanoyl)piperazine

Work with 1-(2-Furoyl)piperazine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

1-(2-Furanylcarbonyl)piperazine hydrochloride60548-09-6Salt

Similar compounds

1-Benzoylpiperazine13754-38-656 % similar 1-(2-Chloro-benzoyl)-piperazine13754-45-553 % similar Benzoylpiperazine hydrochloride56227-55-551 % similar Benzyl piperazine-1-carboxylate31166-44-645 % similar 1-(4-Methoxybenzoyl)-piperazine94747-49-645 % similar Alpha-furil492-94-444 % similar Benzyl 1,4-diazepane-1-carboxylate117009-97-942 % similar 1-(4-Nitrobenzoyl)piperazine72141-41-442 % similar

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

Same formula

2-Ethoxybenzhydrazide21018-13-3 3-Ethoxybenzhydrazide27830-16-6 p-Amino-DL-phenylalanine hydrate2922-41-0 Ethyl 3,4-diaminobenzoate37466-90-3 4-Amino-N-(2-hydroxyethyl)benzamide54472-45-6 2-(4-Methoxyphenyl)acetohydrazide57676-49-0 4-Ethoxybenzhydrazide58586-81-5 N-(3-Amino-4-methoxyphenyl)acetamide6375-47-9

Elsewhere

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