chempirical

3,3-Dichloro-1-(4-nitrophenyl)-2-piperidinone

C11H10Cl2N2O3CAS 881386-01-2289.11 g/mol

Open in Covalent MOL file
ONN+OO−ClCl
Alkyl halideAmideLactamNitro

Properties

Molecular formula
C11H10Cl2N2O3
Molar mass
289.11 g/mol
Exact mass
288.0068 Da
logP
2.90Crippen estimate
Polar surface area
63.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
881386-01-2
SMILES
O=C1N(c2ccc([N+](=O)[O-])cc2)CCCC1(Cl)Cl
InChIKey
KKVYXBZVPRSWHE-UHFFFAOYSA-N
InChI
InChI=1S/C11H10Cl2N2O3/c12-11(13)6-1-7-14(10(11)16)8-2-4-9(5-3-8)15(17)18/h2-5H,1,6-7H2

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Names and synonyms

2 names
  • 2-Piperidinone, 3,3-dichloro-1-(4-nitrophenyl)-
  • 3,3-Dichloro-1-(4-nitrophenyl)piperidin-2-one

Work with 3,3-Dichloro-1-(4-nitrophenyl)-2-piperidinone

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-(4-Nitrophenyl)piperidine6574-15-848 % similar N,N-Diethyl-4-nitrobenzenamine2216-15-144 % similar 4-Nitro-N,N-bis(4-nitrophenyl)benzenamine20440-93-144 % similar 1-(4-Nitrophenyl)piperazine6269-89-243 % similar 2-Chloro-N-methyl-N-(4-nitrophenyl)acetamide2653-16-942 % similar 2,4-Dihydro-2-(4-nitrophenyl)-5-(1-pyrrolidinyl)-3H-pyrazol-3-one30818-17-842 % similar 4-[4-(4-Nitrophenyl)-1-piperazinyl]phenol112559-81-642 % similar 1,4-Dinitrobenzene100-25-439 % similar

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

Elsewhere

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