3-bromo-5-methyl-1-(piperidin-4-ylmethyl)pyridin-2-one

C12H17BrN2O — CID 82105293

IUPAC3-bromo-5-methyl-1-(piperidin-4-ylmethyl)pyridin-2-one
SMILESCc1cc(Br)c(=O)n(CC2CCNCC2)c1
InChIInChI=1S/C12H17BrN2O/c1-9-6-11(13)12(16)15(7-9)8-10-2-4-14-5-3-10/h6-7,10,14H,2-5,8H2,1H3
InChIKeySOACGINGXLBGIM-UHFFFAOYSA-N
MW285.19 g/mol
LogP1.92
Rot. Bonds2

About 3-bromo-5-methyl-1-(piperidin-4-ylmethyl)pyridin-2-one

3-bromo-5-methyl-1-(piperidin-4-ylmethyl)pyridin-2-one (PubChem CID 82105293) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 3-bromo-5-methyl-1-(piperidin-4-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name3-bromo-5-methyl-1-(piperidin-4-ylmethyl)pyridin-2-one
PubChem CID82105293
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name3-bromo-5-methyl-1-(piperidin-4-ylmethyl)pyridin-2-one
SMILESCc1cc(Br)c(=O)n(CC2CCNCC2)c1
InChIInChI=1S/C12H17BrN2O/c1-9-6-11(13)12(16)15(7-9)8-10-2-4-14-5-3-10/h6-7,10,14H,2-5,8H2,1H3
InChIKeySOACGINGXLBGIM-UHFFFAOYSA-N
XLogP1.92
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-1-(piperidin-4-ylmethyl)pyridin-2-one?
The IUPAC name of 3-bromo-5-methyl-1-(piperidin-4-ylmethyl)pyridin-2-one (CID 82105293) is 3-bromo-5-methyl-1-(piperidin-4-ylmethyl)pyridin-2-one.
What is the SMILES notation for 3-bromo-5-methyl-1-(piperidin-4-ylmethyl)pyridin-2-one?
The canonical SMILES for 3-bromo-5-methyl-1-(piperidin-4-ylmethyl)pyridin-2-one is Cc1cc(Br)c(=O)n(CC2CCNCC2)c1.
What is the InChIKey of 3-bromo-5-methyl-1-(piperidin-4-ylmethyl)pyridin-2-one?
The InChIKey is SOACGINGXLBGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-9-6-11(13)12(16)15(7-9)8-10-2-4-14-5-3-10/h6-7,10,14H,2-5,8H2,1H3.
What are the key properties of 3-bromo-5-methyl-1-(piperidin-4-ylmethyl)pyridin-2-one?
3-bromo-5-methyl-1-(piperidin-4-ylmethyl)pyridin-2-one has a molecular weight of 285.19 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-1-(piperidin-4-ylmethyl)pyridin-2-one is sourced from PubChem (CID 82105293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).