4-(2-methoxyacetyl)-3-methyl-1-(2-methylphenyl)piperazin-2-one

C15H20N2O3 — CID 24716597

IUPAC4-(2-methoxyacetyl)-3-methyl-1-(2-methylphenyl)piperazin-2-one
SMILESCOCC(=O)N1CCN(c2ccccc2C)C(=O)C1C
InChIInChI=1S/C15H20N2O3/c1-11-6-4-5-7-13(11)17-9-8-16(12(2)15(17)19)14(18)10-20-3/h4-7,12H,8-10H2,1-3H3
InChIKeySVVRKPKTTXQJLH-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.21
Rot. Bonds3

About 4-(2-methoxyacetyl)-3-methyl-1-(2-methylphenyl)piperazin-2-one

4-(2-methoxyacetyl)-3-methyl-1-(2-methylphenyl)piperazin-2-one (PubChem CID 24716597) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-(2-methoxyacetyl)-3-methyl-1-(2-methylphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-(2-methoxyacetyl)-3-methyl-1-(2-methylphenyl)piperazin-2-one
PubChem CID24716597
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name4-(2-methoxyacetyl)-3-methyl-1-(2-methylphenyl)piperazin-2-one
SMILESCOCC(=O)N1CCN(c2ccccc2C)C(=O)C1C
InChIInChI=1S/C15H20N2O3/c1-11-6-4-5-7-13(11)17-9-8-16(12(2)15(17)19)14(18)10-20-3/h4-7,12H,8-10H2,1-3H3
InChIKeySVVRKPKTTXQJLH-UHFFFAOYSA-N
XLogP1.21
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyacetyl)-3-methyl-1-(2-methylphenyl)piperazin-2-one?
The IUPAC name of 4-(2-methoxyacetyl)-3-methyl-1-(2-methylphenyl)piperazin-2-one (CID 24716597) is 4-(2-methoxyacetyl)-3-methyl-1-(2-methylphenyl)piperazin-2-one.
What is the SMILES notation for 4-(2-methoxyacetyl)-3-methyl-1-(2-methylphenyl)piperazin-2-one?
The canonical SMILES for 4-(2-methoxyacetyl)-3-methyl-1-(2-methylphenyl)piperazin-2-one is COCC(=O)N1CCN(c2ccccc2C)C(=O)C1C.
What is the InChIKey of 4-(2-methoxyacetyl)-3-methyl-1-(2-methylphenyl)piperazin-2-one?
The InChIKey is SVVRKPKTTXQJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11-6-4-5-7-13(11)17-9-8-16(12(2)15(17)19)14(18)10-20-3/h4-7,12H,8-10H2,1-3H3.
What are the key properties of 4-(2-methoxyacetyl)-3-methyl-1-(2-methylphenyl)piperazin-2-one?
4-(2-methoxyacetyl)-3-methyl-1-(2-methylphenyl)piperazin-2-one has a molecular weight of 276.34 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyacetyl)-3-methyl-1-(2-methylphenyl)piperazin-2-one is sourced from PubChem (CID 24716597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).