1-(2-ethylphenyl)-3-methyl-4-propanoylpiperazin-2-one

C16H22N2O2 — CID 24716205

IUPAC1-(2-ethylphenyl)-3-methyl-4-propanoylpiperazin-2-one
SMILESCCC(=O)N1CCN(c2ccccc2CC)C(=O)C1C
InChIInChI=1S/C16H22N2O2/c1-4-13-8-6-7-9-14(13)18-11-10-17(15(19)5-2)12(3)16(18)20/h6-9,12H,4-5,10-11H2,1-3H3
InChIKeyHRPKBJAZXHUEEF-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.22
Rot. Bonds3

About 1-(2-ethylphenyl)-3-methyl-4-propanoylpiperazin-2-one

1-(2-ethylphenyl)-3-methyl-4-propanoylpiperazin-2-one (PubChem CID 24716205) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-3-methyl-4-propanoylpiperazin-2-one.

Molecular Properties

Compound Name1-(2-ethylphenyl)-3-methyl-4-propanoylpiperazin-2-one
PubChem CID24716205
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-(2-ethylphenyl)-3-methyl-4-propanoylpiperazin-2-one
SMILESCCC(=O)N1CCN(c2ccccc2CC)C(=O)C1C
InChIInChI=1S/C16H22N2O2/c1-4-13-8-6-7-9-14(13)18-11-10-17(15(19)5-2)12(3)16(18)20/h6-9,12H,4-5,10-11H2,1-3H3
InChIKeyHRPKBJAZXHUEEF-UHFFFAOYSA-N
XLogP2.22
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-ethylphenyl)-3-methyl-4-propanoylpiperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-3-methyl-4-propanoylpiperazin-2-one?
The IUPAC name of 1-(2-ethylphenyl)-3-methyl-4-propanoylpiperazin-2-one (CID 24716205) is 1-(2-ethylphenyl)-3-methyl-4-propanoylpiperazin-2-one.
What is the SMILES notation for 1-(2-ethylphenyl)-3-methyl-4-propanoylpiperazin-2-one?
The canonical SMILES for 1-(2-ethylphenyl)-3-methyl-4-propanoylpiperazin-2-one is CCC(=O)N1CCN(c2ccccc2CC)C(=O)C1C.
What is the InChIKey of 1-(2-ethylphenyl)-3-methyl-4-propanoylpiperazin-2-one?
The InChIKey is HRPKBJAZXHUEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-4-13-8-6-7-9-14(13)18-11-10-17(15(19)5-2)12(3)16(18)20/h6-9,12H,4-5,10-11H2,1-3H3.
What are the key properties of 1-(2-ethylphenyl)-3-methyl-4-propanoylpiperazin-2-one?
1-(2-ethylphenyl)-3-methyl-4-propanoylpiperazin-2-one has a molecular weight of 274.36 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-3-methyl-4-propanoylpiperazin-2-one is sourced from PubChem (CID 24716205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).