5-(5-bromo-2-nitroanilino)piperidin-2-one

C11H12BrN3O3 — CID 65343295

IUPAC5-(5-bromo-2-nitroanilino)piperidin-2-one
SMILESO=C1CCC(Nc2cc(Br)ccc2[N+](=O)[O-])CN1
InChIInChI=1S/C11H12BrN3O3/c12-7-1-3-10(15(17)18)9(5-7)14-8-2-4-11(16)13-6-8/h1,3,5,8,14H,2,4,6H2,(H,13,16)
InChIKeyLZAAYKJCSCFHAC-UHFFFAOYSA-N
MW314.14 g/mol
LogP2.05
Rot. Bonds3

About 5-(5-bromo-2-nitroanilino)piperidin-2-one

5-(5-bromo-2-nitroanilino)piperidin-2-one (PubChem CID 65343295) has the molecular formula C11H12BrN3O3 and a molecular weight of 314.14 g/mol. Its IUPAC name is 5-(5-bromo-2-nitroanilino)piperidin-2-one.

Molecular Properties

Compound Name5-(5-bromo-2-nitroanilino)piperidin-2-one
PubChem CID65343295
Molecular FormulaC11H12BrN3O3
Molecular Weight314.14 g/mol
Exact Mass313.01
IUPAC Name5-(5-bromo-2-nitroanilino)piperidin-2-one
SMILESO=C1CCC(Nc2cc(Br)ccc2[N+](=O)[O-])CN1
InChIInChI=1S/C11H12BrN3O3/c12-7-1-3-10(15(17)18)9(5-7)14-8-2-4-11(16)13-6-8/h1,3,5,8,14H,2,4,6H2,(H,13,16)
InChIKeyLZAAYKJCSCFHAC-UHFFFAOYSA-N
XLogP2.05
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.14
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[(3-nitro-4-pyridinyl)amino]piperidin-2-one
CID 63318938
3-nitro-4-[(6-oxopiperidin-3-yl)amino]benzoic acid
CID 63661070
5-bromo-N-cyclopent-3-en-1-yl-2-nitroaniline
CID 115715250
N-(5-bromo-2-nitrophenyl)thian-4-amine
CID 113260841
5-[(5-nitroisoquinolin-8-yl)amino]piperidin-2-one
CID 103141706
4-(5-bromo-2-nitroanilino)-1-cyclopropylpyrrolidin-2-one
CID 133368608
5-(2-chloro-4-nitroanilino)piperidin-2-one
CID 62490251
2-nitro-5-[(6-oxopiperidin-3-yl)amino]benzoic acid
CID 63661251
5-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]piperidin-2-one
CID 80834232
5-nitro-2-[(6-oxopiperidin-3-yl)amino]benzoic acid
CID 63661956
5-bromo-N-(2-methylcyclopropyl)-2-nitroaniline
CID 65341327
5-(2,6-dichloro-4-nitroanilino)piperidin-2-one
CID 104917416

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-nitroanilino)piperidin-2-one?
The IUPAC name of 5-(5-bromo-2-nitroanilino)piperidin-2-one (CID 65343295) is 5-(5-bromo-2-nitroanilino)piperidin-2-one.
What is the SMILES notation for 5-(5-bromo-2-nitroanilino)piperidin-2-one?
The canonical SMILES for 5-(5-bromo-2-nitroanilino)piperidin-2-one is O=C1CCC(Nc2cc(Br)ccc2[N+](=O)[O-])CN1.
What is the InChIKey of 5-(5-bromo-2-nitroanilino)piperidin-2-one?
The InChIKey is LZAAYKJCSCFHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O3/c12-7-1-3-10(15(17)18)9(5-7)14-8-2-4-11(16)13-6-8/h1,3,5,8,14H,2,4,6H2,(H,13,16).
What are the key properties of 5-(5-bromo-2-nitroanilino)piperidin-2-one?
5-(5-bromo-2-nitroanilino)piperidin-2-one has a molecular weight of 314.14 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-nitroanilino)piperidin-2-one is sourced from PubChem (CID 65343295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).