1-(4-Nitrobenzoyl)piperazine

C₁₁H₁₃N₃O₃CAS 72141-41-4235.24 g/mol

Open in Covalent MOL file

Amide Nitro Secondary amine

Properties

Molecular formula: C₁₁H₁₃N₃O₃
Molar mass: 235.24 g/mol
Exact mass: 235.0957 Da
logP: 0.64Crippen estimate
Polar surface area: 75.5 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H332 Harmful if inhaled100% of notifiers

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

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number

72141-41-4

SMILES

C1CN(CCN1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChIKey

HIQSQKKHPVVUEJ-UHFFFAOYSA-N

InChI

InChI=1S/C11H13N3O3/c15-11(13-7-5-12-6-8-13)9-1-3-10(4-2-9)14(16)17/h1-4,12H,5-8H2

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Names and synonyms

1 names

(4-Nitro-phenyl)-piperazin-1-yl-methanone

Work with 1-(4-Nitrobenzoyl)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

Similar compounds

1-Benzoylpiperazine13754-38-658 % similar 1-(4-Nitrophenyl)piperazine6269-89-257 % similar 1-(4-Methoxybenzoyl)-piperazine94747-49-655 % similar Benzoylpiperazine hydrochloride56227-55-554 % similar 4-(5-Nitropyridin-2-yl)piperazine82205-58-151 % similar Bis(4-nitrophenyl)peroxyanhydride1712-84-150 % similar O-(4-Nitrobenzoyl)hydroxylamine35657-36-448 % similar 4-Nitrobenzamide619-80-748 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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