3-methoxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridin-2-one

C13H19N3O3 — CID 72926536

IUPAC3-methoxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridin-2-one
SMILESCOc1cccn(CC(=O)N2CCN(C)CC2)c1=O
InChIInChI=1S/C13H19N3O3/c1-14-6-8-15(9-7-14)12(17)10-16-5-3-4-11(19-2)13(16)18/h3-5H,6-10H2,1-2H3
InChIKeyXYFDCZCJZFZISV-UHFFFAOYSA-N
MW265.31 g/mol
LogP-0.37
Rot. Bonds3

About 3-methoxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridin-2-one

3-methoxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridin-2-one (PubChem CID 72926536) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-methoxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name3-methoxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridin-2-one
PubChem CID72926536
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name3-methoxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridin-2-one
SMILESCOc1cccn(CC(=O)N2CCN(C)CC2)c1=O
InChIInChI=1S/C13H19N3O3/c1-14-6-8-15(9-7-14)12(17)10-16-5-3-4-11(19-2)13(16)18/h3-5H,6-10H2,1-2H3
InChIKeyXYFDCZCJZFZISV-UHFFFAOYSA-N
XLogP-0.37
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 5-0.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridin-2-one?
The IUPAC name of 3-methoxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridin-2-one (CID 72926536) is 3-methoxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 3-methoxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 3-methoxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridin-2-one is COc1cccn(CC(=O)N2CCN(C)CC2)c1=O.
What is the InChIKey of 3-methoxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridin-2-one?
The InChIKey is XYFDCZCJZFZISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-14-6-8-15(9-7-14)12(17)10-16-5-3-4-11(19-2)13(16)18/h3-5H,6-10H2,1-2H3.
What are the key properties of 3-methoxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridin-2-one?
3-methoxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridin-2-one has a molecular weight of 265.31 g/mol, XLogP of -0.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 72926536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).