3-Phenylpiperazin-2-one

C₁₀H₁₂N₂OCAS 5368-28-5176.22 g/mol

Open in Covalent MOL file

Amide Lactam Secondary amine

Properties

Molecular formula: C₁₀H₁₂N₂O
Molar mass: 176.22 g/mol
Exact mass: 176.0950 Da
logP: 0.45Crippen estimate
Polar surface area: 41.1 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

5368-28-5

SMILES

C1CNC(=O)C(N1)C2=CC=CC=C2

InChIKey

WKFFHKBGGZHQAX-UHFFFAOYSA-N

InChI

InChI=1S/C10H12N2O/c13-10-9(11-6-7-12-10)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2,(H,12,13)

Weigh it out

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

Work with 3-Phenylpiperazin-2-one

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

(3R,4S)-3-Hydroxy-4-phenyl-2-azetidinone132127-34-541 % similar 5-Phenylcyclohexane-1,3-dione493-72-140 % similar 2-Phenylpiperazine5271-26-140 % similar (Alphar)-alpha-hydroxy-N-[2-(4-nitrophenyl)ethyl]benzeneacetamide521284-19-540 % similar (3R)-3-Phenyl-L-proline118758-48-839 % similar 2-Phenylpyrrolidine1006-64-037 % similar (S)-(+)-4-Phenyl-2-oxazolidinone86217-38-137 % similar EDDHA1170-02-137 % similar

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

Same formula

1,2,3,4-Tetrahydroisoquinoline-3-carboxamide112794-29-3 1H-Benzimidazole-2-propanol2403-66-9 6-(Pyrrolidin-1-yl)pyridine-3-carbaldehyde261715-39-3 4-Methyl-1-phenyl-3-pyrazolidone2654-57-1 1-Acetyl-5-amino-2,3-dihydro-(1H)-indole4993-96-8 Serotonin50-67-9 3-Dimethylamino-1-(3-pyridyl)-2-propen-1-one55314-16-4 4,5-Dihydro-4,4-dimethyl-2-(3-pyridyl)oxazole68981-86-2

Elsewhere

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