6-(4-methoxyphenyl)-1-methylpiperazin-2-one

C12H16N2O2 — CID 83707128

IUPAC6-(4-methoxyphenyl)-1-methylpiperazin-2-one
SMILESCOc1ccc(C2CNCC(=O)N2C)cc1
InChIInChI=1S/C12H16N2O2/c1-14-11(7-13-8-12(14)15)9-3-5-10(16-2)6-4-9/h3-6,11,13H,7-8H2,1-2H3
InChIKeyROODKCIUDSFFKC-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.80
Rot. Bonds2

About 6-(4-methoxyphenyl)-1-methylpiperazin-2-one

6-(4-methoxyphenyl)-1-methylpiperazin-2-one (PubChem CID 83707128) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-1-methylpiperazin-2-one.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-1-methylpiperazin-2-one
PubChem CID83707128
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name6-(4-methoxyphenyl)-1-methylpiperazin-2-one
SMILESCOc1ccc(C2CNCC(=O)N2C)cc1
InChIInChI=1S/C12H16N2O2/c1-14-11(7-13-8-12(14)15)9-3-5-10(16-2)6-4-9/h3-6,11,13H,7-8H2,1-2H3
InChIKeyROODKCIUDSFFKC-UHFFFAOYSA-N
XLogP0.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-1-methylpiperazin-2-one?
The IUPAC name of 6-(4-methoxyphenyl)-1-methylpiperazin-2-one (CID 83707128) is 6-(4-methoxyphenyl)-1-methylpiperazin-2-one.
What is the SMILES notation for 6-(4-methoxyphenyl)-1-methylpiperazin-2-one?
The canonical SMILES for 6-(4-methoxyphenyl)-1-methylpiperazin-2-one is COc1ccc(C2CNCC(=O)N2C)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-1-methylpiperazin-2-one?
The InChIKey is ROODKCIUDSFFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-14-11(7-13-8-12(14)15)9-3-5-10(16-2)6-4-9/h3-6,11,13H,7-8H2,1-2H3.
What are the key properties of 6-(4-methoxyphenyl)-1-methylpiperazin-2-one?
6-(4-methoxyphenyl)-1-methylpiperazin-2-one has a molecular weight of 220.27 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-1-methylpiperazin-2-one is sourced from PubChem (CID 83707128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).