5-methoxy-2-methyl-1-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridin-4-one

C18H22N4O3 — CID 91639229

IUPAC5-methoxy-2-methyl-1-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridin-4-one
SMILESCOc1cn(CC(=O)N2CCN(c3ccccn3)CC2)c(C)cc1=O
InChIInChI=1S/C18H22N4O3/c1-14-11-15(23)16(25-2)12-22(14)13-18(24)21-9-7-20(8-10-21)17-5-3-4-6-19-17/h3-6,11-12H,7-10,13H2,1-2H3
InChIKeyUUXVQOFMKAECQI-UHFFFAOYSA-N
MW342.40 g/mol
LogP0.91
Rot. Bonds4

About 5-methoxy-2-methyl-1-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridin-4-one

5-methoxy-2-methyl-1-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridin-4-one (PubChem CID 91639229) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 5-methoxy-2-methyl-1-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridin-4-one.

Molecular Properties

Compound Name5-methoxy-2-methyl-1-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridin-4-one
PubChem CID91639229
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name5-methoxy-2-methyl-1-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridin-4-one
SMILESCOc1cn(CC(=O)N2CCN(c3ccccn3)CC2)c(C)cc1=O
InChIInChI=1S/C18H22N4O3/c1-14-11-15(23)16(25-2)12-22(14)13-18(24)21-9-7-20(8-10-21)17-5-3-4-6-19-17/h3-6,11-12H,7-10,13H2,1-2H3
InChIKeyUUXVQOFMKAECQI-UHFFFAOYSA-N
XLogP0.91
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-methoxy-2-methyl-1-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridin-4-one with MolForge

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Related Compounds

2-(2-methoxy-4,5-dimethylphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110767938
2-(2-methoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 762691
2-(2-methoxy-4-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 18104765
1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2813993
7,8-dimethoxy-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-3-benzazepin-2-one
CID 71825604
2-(5-chloro-2-methoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110767256
2-(5,6-dimethoxy-2-methyl-1H-indol-3-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 12746862
1-(2-methoxyphenyl)-3-methyl-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]piperazin-2-one
CID 46980979
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
N-(2-methoxy-5-methylphenyl)-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]acetamide
CID 113129584
5-(4-fluorophenyl)-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-oxazol-2-one
CID 53180479
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 108530749

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methyl-1-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridin-4-one?
The IUPAC name of 5-methoxy-2-methyl-1-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridin-4-one (CID 91639229) is 5-methoxy-2-methyl-1-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridin-4-one.
What is the SMILES notation for 5-methoxy-2-methyl-1-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridin-4-one?
The canonical SMILES for 5-methoxy-2-methyl-1-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridin-4-one is COc1cn(CC(=O)N2CCN(c3ccccn3)CC2)c(C)cc1=O.
What is the InChIKey of 5-methoxy-2-methyl-1-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridin-4-one?
The InChIKey is UUXVQOFMKAECQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-14-11-15(23)16(25-2)12-22(14)13-18(24)21-9-7-20(8-10-21)17-5-3-4-6-19-17/h3-6,11-12H,7-10,13H2,1-2H3.
What are the key properties of 5-methoxy-2-methyl-1-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridin-4-one?
5-methoxy-2-methyl-1-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridin-4-one has a molecular weight of 342.40 g/mol, XLogP of 0.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methyl-1-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridin-4-one is sourced from PubChem (CID 91639229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).