2-(3-methoxyphenoxy)-1-(4-methylpiperazin-1-yl)ethanone

C14H20N2O3 — CID 699717

IUPAC2-(3-methoxyphenoxy)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCOc1cccc(OCC(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C14H20N2O3/c1-15-6-8-16(9-7-15)14(17)11-19-13-5-3-4-12(10-13)18-2/h3-5,10H,6-9,11H2,1-2H3
InChIKeyUHKQZCGJNCDSNY-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.85
Rot. Bonds4

About 2-(3-methoxyphenoxy)-1-(4-methylpiperazin-1-yl)ethanone

2-(3-methoxyphenoxy)-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 699717) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-(3-methoxyphenoxy)-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-methoxyphenoxy)-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID699717
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-(3-methoxyphenoxy)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCOc1cccc(OCC(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C14H20N2O3/c1-15-6-8-16(9-7-15)14(17)11-19-13-5-3-4-12(10-13)18-2/h3-5,10H,6-9,11H2,1-2H3
InChIKeyUHKQZCGJNCDSNY-UHFFFAOYSA-N
XLogP0.85
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenoxy)-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(3-methoxyphenoxy)-1-(4-methylpiperazin-1-yl)ethanone (CID 699717) is 2-(3-methoxyphenoxy)-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(3-methoxyphenoxy)-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(3-methoxyphenoxy)-1-(4-methylpiperazin-1-yl)ethanone is COc1cccc(OCC(=O)N2CCN(C)CC2)c1.
What is the InChIKey of 2-(3-methoxyphenoxy)-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is UHKQZCGJNCDSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-15-6-8-16(9-7-15)14(17)11-19-13-5-3-4-12(10-13)18-2/h3-5,10H,6-9,11H2,1-2H3.
What are the key properties of 2-(3-methoxyphenoxy)-1-(4-methylpiperazin-1-yl)ethanone?
2-(3-methoxyphenoxy)-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 264.32 g/mol, XLogP of 0.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenoxy)-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 699717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).