1-(3,4-dimethylphenyl)-4-(2-methoxyacetyl)-3-methylpiperazin-2-one

C16H22N2O3 — CID 24716639

IUPAC1-(3,4-dimethylphenyl)-4-(2-methoxyacetyl)-3-methylpiperazin-2-one
SMILESCOCC(=O)N1CCN(c2ccc(C)c(C)c2)C(=O)C1C
InChIInChI=1S/C16H22N2O3/c1-11-5-6-14(9-12(11)2)18-8-7-17(13(3)16(18)20)15(19)10-21-4/h5-6,9,13H,7-8,10H2,1-4H3
InChIKeyHOLVODUEBLCANO-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.51
Rot. Bonds3

About 1-(3,4-dimethylphenyl)-4-(2-methoxyacetyl)-3-methylpiperazin-2-one

1-(3,4-dimethylphenyl)-4-(2-methoxyacetyl)-3-methylpiperazin-2-one (PubChem CID 24716639) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-4-(2-methoxyacetyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-4-(2-methoxyacetyl)-3-methylpiperazin-2-one
PubChem CID24716639
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-(3,4-dimethylphenyl)-4-(2-methoxyacetyl)-3-methylpiperazin-2-one
SMILESCOCC(=O)N1CCN(c2ccc(C)c(C)c2)C(=O)C1C
InChIInChI=1S/C16H22N2O3/c1-11-5-6-14(9-12(11)2)18-8-7-17(13(3)16(18)20)15(19)10-21-4/h5-6,9,13H,7-8,10H2,1-4H3
InChIKeyHOLVODUEBLCANO-UHFFFAOYSA-N
XLogP1.51
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-4-(3,3-dimethylbutanoyl)-1-(3,4-dimethylphenyl)-3-methylpiperazin-2-one
CID 93322014
1-(3,5-dimethoxyphenyl)-4-(2-methoxyacetyl)-3-methylpiperazin-2-one
CID 24716731
(2S)-4-(3,4-dimethylphenyl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide
CID 93322045
4-(2-methoxyacetyl)-3-methyl-1-(2-methylphenyl)piperazin-2-one
CID 24716597
(3R)-1-(3-chloro-4-methylphenyl)-3-methyl-4-propanoylpiperazin-2-one
CID 93321640
ethyl 2-[(2R)-4-(3,4-dimethylphenyl)-2-methyl-3-oxopiperazin-1-yl]acetate
CID 93319686
(3R)-1-(3,4-dimethylphenyl)-4-(4-fluorobenzoyl)-3-methylpiperazin-2-one
CID 93292457
(3R)-1-(5-chloro-2-methoxyphenyl)-4-(2-methoxyacetyl)-3-methylpiperazin-2-one
CID 93322109
4-(3,3-dimethylbutanoyl)-1-(3-fluoro-4-methylphenyl)-3-methylpiperazin-2-one
CID 24716462
(3S)-4-[2-(2-methoxyethoxy)acetyl]-1-(4-methoxyphenyl)-3-methylpiperazin-2-one
CID 97133156
1-(3,4-dimethylphenyl)-4-(3-fluorobenzoyl)-3-methylpiperazin-2-one
CID 24718836
(3S)-1-(3-fluoro-4-methylphenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one
CID 93290787

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-4-(2-methoxyacetyl)-3-methylpiperazin-2-one?
The IUPAC name of 1-(3,4-dimethylphenyl)-4-(2-methoxyacetyl)-3-methylpiperazin-2-one (CID 24716639) is 1-(3,4-dimethylphenyl)-4-(2-methoxyacetyl)-3-methylpiperazin-2-one.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-4-(2-methoxyacetyl)-3-methylpiperazin-2-one?
The canonical SMILES for 1-(3,4-dimethylphenyl)-4-(2-methoxyacetyl)-3-methylpiperazin-2-one is COCC(=O)N1CCN(c2ccc(C)c(C)c2)C(=O)C1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-4-(2-methoxyacetyl)-3-methylpiperazin-2-one?
The InChIKey is HOLVODUEBLCANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-5-6-14(9-12(11)2)18-8-7-17(13(3)16(18)20)15(19)10-21-4/h5-6,9,13H,7-8,10H2,1-4H3.
What are the key properties of 1-(3,4-dimethylphenyl)-4-(2-methoxyacetyl)-3-methylpiperazin-2-one?
1-(3,4-dimethylphenyl)-4-(2-methoxyacetyl)-3-methylpiperazin-2-one has a molecular weight of 290.36 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-4-(2-methoxyacetyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 24716639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).