1-[4-benzoyl-3-(2-methoxyphenyl)piperazin-1-yl]ethanone

C20H22N2O3 — CID 110109313

IUPAC1-[4-benzoyl-3-(2-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccccc1C1CN(C(C)=O)CCN1C(=O)c1ccccc1
InChIInChI=1S/C20H22N2O3/c1-15(23)21-12-13-22(20(24)16-8-4-3-5-9-16)18(14-21)17-10-6-7-11-19(17)25-2/h3-11,18H,12-14H2,1-2H3
InChIKeyMFJFTNAHLFJEOH-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.74
Rot. Bonds3

About 1-[4-benzoyl-3-(2-methoxyphenyl)piperazin-1-yl]ethanone

1-[4-benzoyl-3-(2-methoxyphenyl)piperazin-1-yl]ethanone (PubChem CID 110109313) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-[4-benzoyl-3-(2-methoxyphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-benzoyl-3-(2-methoxyphenyl)piperazin-1-yl]ethanone
PubChem CID110109313
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name1-[4-benzoyl-3-(2-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccccc1C1CN(C(C)=O)CCN1C(=O)c1ccccc1
InChIInChI=1S/C20H22N2O3/c1-15(23)21-12-13-22(20(24)16-8-4-3-5-9-16)18(14-21)17-10-6-7-11-19(17)25-2/h3-11,18H,12-14H2,1-2H3
InChIKeyMFJFTNAHLFJEOH-UHFFFAOYSA-N
XLogP2.74
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-benzoyl-3-(2-methoxyphenyl)piperazin-1-yl]ethanone 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-[4-benzoyl-3-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-benzoyl-3-(2-methoxyphenyl)piperazin-1-yl]ethanone (CID 110109313) is 1-[4-benzoyl-3-(2-methoxyphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-benzoyl-3-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-benzoyl-3-(2-methoxyphenyl)piperazin-1-yl]ethanone is COc1ccccc1C1CN(C(C)=O)CCN1C(=O)c1ccccc1.
What is the InChIKey of 1-[4-benzoyl-3-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The InChIKey is MFJFTNAHLFJEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-15(23)21-12-13-22(20(24)16-8-4-3-5-9-16)18(14-21)17-10-6-7-11-19(17)25-2/h3-11,18H,12-14H2,1-2H3.
What are the key properties of 1-[4-benzoyl-3-(2-methoxyphenyl)piperazin-1-yl]ethanone?
1-[4-benzoyl-3-(2-methoxyphenyl)piperazin-1-yl]ethanone has a molecular weight of 338.41 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-benzoyl-3-(2-methoxyphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 110109313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).