5-amino-6-(3,5-dibromophenyl)piperidin-2-one

C11H12Br2N2O — CID 91619282

IUPAC5-amino-6-(3,5-dibromophenyl)piperidin-2-one
SMILESNC1CCC(=O)NC1c1cc(Br)cc(Br)c1
InChIInChI=1S/C11H12Br2N2O/c12-7-3-6(4-8(13)5-7)11-9(14)1-2-10(16)15-11/h3-5,9,11H,1-2,14H2,(H,15,16)
InChIKeyWVCJTVRDKGWXJB-UHFFFAOYSA-N
MW348.04 g/mol
LogP2.49
Rot. Bonds1

About 5-amino-6-(3,5-dibromophenyl)piperidin-2-one

5-amino-6-(3,5-dibromophenyl)piperidin-2-one (PubChem CID 91619282) has the molecular formula C11H12Br2N2O and a molecular weight of 348.04 g/mol. Its IUPAC name is 5-amino-6-(3,5-dibromophenyl)piperidin-2-one.

Molecular Properties

Compound Name5-amino-6-(3,5-dibromophenyl)piperidin-2-one
PubChem CID91619282
Molecular FormulaC11H12Br2N2O
Molecular Weight348.04 g/mol
Exact Mass345.93
IUPAC Name5-amino-6-(3,5-dibromophenyl)piperidin-2-one
SMILESNC1CCC(=O)NC1c1cc(Br)cc(Br)c1
InChIInChI=1S/C11H12Br2N2O/c12-7-3-6(4-8(13)5-7)11-9(14)1-2-10(16)15-11/h3-5,9,11H,1-2,14H2,(H,15,16)
InChIKeyWVCJTVRDKGWXJB-UHFFFAOYSA-N
XLogP2.49
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.04
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(3,5-dibromophenyl)piperidin-2-one?
The IUPAC name of 5-amino-6-(3,5-dibromophenyl)piperidin-2-one (CID 91619282) is 5-amino-6-(3,5-dibromophenyl)piperidin-2-one.
What is the SMILES notation for 5-amino-6-(3,5-dibromophenyl)piperidin-2-one?
The canonical SMILES for 5-amino-6-(3,5-dibromophenyl)piperidin-2-one is NC1CCC(=O)NC1c1cc(Br)cc(Br)c1.
What is the InChIKey of 5-amino-6-(3,5-dibromophenyl)piperidin-2-one?
The InChIKey is WVCJTVRDKGWXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2N2O/c12-7-3-6(4-8(13)5-7)11-9(14)1-2-10(16)15-11/h3-5,9,11H,1-2,14H2,(H,15,16).
What are the key properties of 5-amino-6-(3,5-dibromophenyl)piperidin-2-one?
5-amino-6-(3,5-dibromophenyl)piperidin-2-one has a molecular weight of 348.04 g/mol, XLogP of 2.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(3,5-dibromophenyl)piperidin-2-one is sourced from PubChem (CID 91619282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).