5-bromo-1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one

C14H19BrN2O2 — CID 78767851

IUPAC5-bromo-1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one
SMILESCC1CC(C)CN(C(=O)Cn2cc(Br)ccc2=O)C1
InChIInChI=1S/C14H19BrN2O2/c1-10-5-11(2)7-16(6-10)14(19)9-17-8-12(15)3-4-13(17)18/h3-4,8,10-11H,5-7,9H2,1-2H3
InChIKeyHQQGXBSGAWLBDX-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.12
Rot. Bonds2

About 5-bromo-1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one

5-bromo-1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one (PubChem CID 78767851) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 5-bromo-1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one
PubChem CID78767851
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name5-bromo-1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one
SMILESCC1CC(C)CN(C(=O)Cn2cc(Br)ccc2=O)C1
InChIInChI=1S/C14H19BrN2O2/c1-10-5-11(2)7-16(6-10)14(19)9-17-8-12(15)3-4-13(17)18/h3-4,8,10-11H,5-7,9H2,1-2H3
InChIKeyHQQGXBSGAWLBDX-UHFFFAOYSA-N
XLogP2.12
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one?
The IUPAC name of 5-bromo-1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one (CID 78767851) is 5-bromo-1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 5-bromo-1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 5-bromo-1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one is CC1CC(C)CN(C(=O)Cn2cc(Br)ccc2=O)C1.
What is the InChIKey of 5-bromo-1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one?
The InChIKey is HQQGXBSGAWLBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-10-5-11(2)7-16(6-10)14(19)9-17-8-12(15)3-4-13(17)18/h3-4,8,10-11H,5-7,9H2,1-2H3.
What are the key properties of 5-bromo-1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one?
5-bromo-1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one has a molecular weight of 327.22 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 78767851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).