1-(4-amino-3-bromophenyl)piperidin-2-one

C11H13BrN2O — CID 82864557

IUPAC1-(4-amino-3-bromophenyl)piperidin-2-one
SMILESNc1ccc(N2CCCCC2=O)cc1Br
InChIInChI=1S/C11H13BrN2O/c12-9-7-8(4-5-10(9)13)14-6-2-1-3-11(14)15/h4-5,7H,1-3,6,13H2
InChIKeyACZMKKNYJRKROK-UHFFFAOYSA-N
MW269.14 g/mol
LogP2.55
Rot. Bonds1

About 1-(4-amino-3-bromophenyl)piperidin-2-one

1-(4-amino-3-bromophenyl)piperidin-2-one (PubChem CID 82864557) has the molecular formula C11H13BrN2O and a molecular weight of 269.14 g/mol. Its IUPAC name is 1-(4-amino-3-bromophenyl)piperidin-2-one.

Molecular Properties

Compound Name1-(4-amino-3-bromophenyl)piperidin-2-one
PubChem CID82864557
Molecular FormulaC11H13BrN2O
Molecular Weight269.14 g/mol
Exact Mass268.02
IUPAC Name1-(4-amino-3-bromophenyl)piperidin-2-one
SMILESNc1ccc(N2CCCCC2=O)cc1Br
InChIInChI=1S/C11H13BrN2O/c12-9-7-8(4-5-10(9)13)14-6-2-1-3-11(14)15/h4-5,7H,1-3,6,13H2
InChIKeyACZMKKNYJRKROK-UHFFFAOYSA-N
XLogP2.55
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromo-4-fluorophenyl)azepan-2-one
CID 104779696
2-bromo-4-(2-oxopiperidin-1-yl)benzenecarbothioamide
CID 112736135
2-bromo-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 55257523
1-(3-amino-4-bromophenyl)azetidin-2-one
CID 107342133
1-(4-aminophenyl)piperidin-2-one
CID 11458178
1-(4-aminophenyl)azepan-2-one
CID 58962781
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
1-(4-chlorophenyl)piperidin-2-one
CID 53422142
1-(3-nitrophenyl)piperidin-2-one
CID 46786184
1-(4-nitrophenyl)azepan-2-one
CID 58962770
2-fluoro-5-(2-oxopiperidin-1-yl)benzonitrile
CID 79686870
1-(3-fluoro-4-methoxyphenyl)piperidin-2-one
CID 142754617

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-bromophenyl)piperidin-2-one?
The IUPAC name of 1-(4-amino-3-bromophenyl)piperidin-2-one (CID 82864557) is 1-(4-amino-3-bromophenyl)piperidin-2-one.
What is the SMILES notation for 1-(4-amino-3-bromophenyl)piperidin-2-one?
The canonical SMILES for 1-(4-amino-3-bromophenyl)piperidin-2-one is Nc1ccc(N2CCCCC2=O)cc1Br.
What is the InChIKey of 1-(4-amino-3-bromophenyl)piperidin-2-one?
The InChIKey is ACZMKKNYJRKROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O/c12-9-7-8(4-5-10(9)13)14-6-2-1-3-11(14)15/h4-5,7H,1-3,6,13H2.
What are the key properties of 1-(4-amino-3-bromophenyl)piperidin-2-one?
1-(4-amino-3-bromophenyl)piperidin-2-one has a molecular weight of 269.14 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-bromophenyl)piperidin-2-one is sourced from PubChem (CID 82864557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).