5-bromo-1-[2-[4-(2-methylpropoxy)piperidin-1-yl]-2-oxoethyl]pyridin-2-one

C16H23BrN2O3 — CID 71890016

IUPAC5-bromo-1-[2-[4-(2-methylpropoxy)piperidin-1-yl]-2-oxoethyl]pyridin-2-one
SMILESCC(C)COC1CCN(C(=O)Cn2cc(Br)ccc2=O)CC1
InChIInChI=1S/C16H23BrN2O3/c1-12(2)11-22-14-5-7-18(8-6-14)16(21)10-19-9-13(17)3-4-15(19)20/h3-4,9,12,14H,5-8,10-11H2,1-2H3
InChIKeyYOAQQEKBKGPVIC-UHFFFAOYSA-N
MW371.28 g/mol
LogP2.27
Rot. Bonds5

About 5-bromo-1-[2-[4-(2-methylpropoxy)piperidin-1-yl]-2-oxoethyl]pyridin-2-one

5-bromo-1-[2-[4-(2-methylpropoxy)piperidin-1-yl]-2-oxoethyl]pyridin-2-one (PubChem CID 71890016) has the molecular formula C16H23BrN2O3 and a molecular weight of 371.28 g/mol. Its IUPAC name is 5-bromo-1-[2-[4-(2-methylpropoxy)piperidin-1-yl]-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-[2-[4-(2-methylpropoxy)piperidin-1-yl]-2-oxoethyl]pyridin-2-one
PubChem CID71890016
Molecular FormulaC16H23BrN2O3
Molecular Weight371.28 g/mol
Exact Mass370.09
IUPAC Name5-bromo-1-[2-[4-(2-methylpropoxy)piperidin-1-yl]-2-oxoethyl]pyridin-2-one
SMILESCC(C)COC1CCN(C(=O)Cn2cc(Br)ccc2=O)CC1
InChIInChI=1S/C16H23BrN2O3/c1-12(2)11-22-14-5-7-18(8-6-14)16(21)10-19-9-13(17)3-4-15(19)20/h3-4,9,12,14H,5-8,10-11H2,1-2H3
InChIKeyYOAQQEKBKGPVIC-UHFFFAOYSA-N
XLogP2.27
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.28
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-bromo-1-[2-[4-(2-methylpropoxy)piperidin-1-yl]-2-oxoethyl]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Bromo-1-[2-(2,2-dimethylmorpholin-4-yl)-2-oxoethyl]pyridin-2-one
CID 56812353
5-Bromo-1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]pyridin-2-one
CID 43427913
5-Bromo-1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyridin-2-one
CID 47096731
5-Bromo-1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]pyridin-2-one
CID 47134830
5-Bromo-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one
CID 52328870
2-(5-bromo-2-oxo-1-pyridinyl)-N-hexyl-N-(2-morpholin-4-ylethyl)acetamide
CID 56093321
5-Bromo-1-[2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 56404035
2-(5-bromo-2-oxo-1-pyridinyl)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N-methylacetamide
CID 71924909
1-[2-[4-(2-Methylpropoxy)piperidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 71939202
5-Bromo-1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one
CID 78767851
5-Bromo-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one
CID 78767947
5-Bromo-1-[2-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 81908911

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[2-[4-(2-methylpropoxy)piperidin-1-yl]-2-oxoethyl]pyridin-2-one?
The IUPAC name of 5-bromo-1-[2-[4-(2-methylpropoxy)piperidin-1-yl]-2-oxoethyl]pyridin-2-one (CID 71890016) is 5-bromo-1-[2-[4-(2-methylpropoxy)piperidin-1-yl]-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 5-bromo-1-[2-[4-(2-methylpropoxy)piperidin-1-yl]-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 5-bromo-1-[2-[4-(2-methylpropoxy)piperidin-1-yl]-2-oxoethyl]pyridin-2-one is CC(C)COC1CCN(C(=O)Cn2cc(Br)ccc2=O)CC1.
What is the InChIKey of 5-bromo-1-[2-[4-(2-methylpropoxy)piperidin-1-yl]-2-oxoethyl]pyridin-2-one?
The InChIKey is YOAQQEKBKGPVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O3/c1-12(2)11-22-14-5-7-18(8-6-14)16(21)10-19-9-13(17)3-4-15(19)20/h3-4,9,12,14H,5-8,10-11H2,1-2H3.
What are the key properties of 5-bromo-1-[2-[4-(2-methylpropoxy)piperidin-1-yl]-2-oxoethyl]pyridin-2-one?
5-bromo-1-[2-[4-(2-methylpropoxy)piperidin-1-yl]-2-oxoethyl]pyridin-2-one has a molecular weight of 371.28 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[2-[4-(2-methylpropoxy)piperidin-1-yl]-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 71890016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).