1-[3-(4-methoxyphenyl)phenyl]-2-(4-methylpiperazin-1-yl)ethanone

C20H24N2O2 — CID 170862095

IUPAC1-[3-(4-methoxyphenyl)phenyl]-2-(4-methylpiperazin-1-yl)ethanone
SMILESCOc1ccc(-c2cccc(C(=O)CN3CCN(C)CC3)c2)cc1
InChIInChI=1S/C20H24N2O2/c1-21-10-12-22(13-11-21)15-20(23)18-5-3-4-17(14-18)16-6-8-19(24-2)9-7-16/h3-9,14H,10-13,15H2,1-2H3
InChIKeyQTUGHTBZHPGSPQ-UHFFFAOYSA-N
MW324.42 g/mol
LogP2.79
Rot. Bonds5

About 1-[3-(4-methoxyphenyl)phenyl]-2-(4-methylpiperazin-1-yl)ethanone

1-[3-(4-methoxyphenyl)phenyl]-2-(4-methylpiperazin-1-yl)ethanone (PubChem CID 170862095) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-[3-(4-methoxyphenyl)phenyl]-2-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-[3-(4-methoxyphenyl)phenyl]-2-(4-methylpiperazin-1-yl)ethanone
PubChem CID170862095
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name1-[3-(4-methoxyphenyl)phenyl]-2-(4-methylpiperazin-1-yl)ethanone
SMILESCOc1ccc(-c2cccc(C(=O)CN3CCN(C)CC3)c2)cc1
InChIInChI=1S/C20H24N2O2/c1-21-10-12-22(13-11-21)15-20(23)18-5-3-4-17(14-18)16-6-8-19(24-2)9-7-16/h3-9,14H,10-13,15H2,1-2H3
InChIKeyQTUGHTBZHPGSPQ-UHFFFAOYSA-N
XLogP2.79
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3-(4-methoxyphenyl)phenyl]-2-(4-methylpiperazin-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-[3-(4-methoxyphenyl)phenyl]-2-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 1-[3-(4-methoxyphenyl)phenyl]-2-(4-methylpiperazin-1-yl)ethanone (CID 170862095) is 1-[3-(4-methoxyphenyl)phenyl]-2-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-[3-(4-methoxyphenyl)phenyl]-2-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-[3-(4-methoxyphenyl)phenyl]-2-(4-methylpiperazin-1-yl)ethanone is COc1ccc(-c2cccc(C(=O)CN3CCN(C)CC3)c2)cc1.
What is the InChIKey of 1-[3-(4-methoxyphenyl)phenyl]-2-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is QTUGHTBZHPGSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-21-10-12-22(13-11-21)15-20(23)18-5-3-4-17(14-18)16-6-8-19(24-2)9-7-16/h3-9,14H,10-13,15H2,1-2H3.
What are the key properties of 1-[3-(4-methoxyphenyl)phenyl]-2-(4-methylpiperazin-1-yl)ethanone?
1-[3-(4-methoxyphenyl)phenyl]-2-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 324.42 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methoxyphenyl)phenyl]-2-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 170862095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).