(3,4-dimethoxyphenyl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone

C21H26N2O3 — CID 998067

IUPAC(3,4-dimethoxyphenyl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(Cc3ccccc3C)CC2)cc1OC
InChIInChI=1S/C21H26N2O3/c1-16-6-4-5-7-18(16)15-22-10-12-23(13-11-22)21(24)17-8-9-19(25-2)20(14-17)26-3/h4-9,14H,10-13,15H2,1-3H3
InChIKeyDUISJTGXDYIOCE-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.97
Rot. Bonds5

About (3,4-dimethoxyphenyl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone

(3,4-dimethoxyphenyl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone (PubChem CID 998067) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
PubChem CID998067
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name(3,4-dimethoxyphenyl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(Cc3ccccc3C)CC2)cc1OC
InChIInChI=1S/C21H26N2O3/c1-16-6-4-5-7-18(16)15-22-10-12-23(13-11-22)21(24)17-8-9-19(25-2)20(14-17)26-3/h4-9,14H,10-13,15H2,1-3H3
InChIKeyDUISJTGXDYIOCE-UHFFFAOYSA-N
XLogP2.97
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3,4-dimethoxyphenyl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone 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 (3,4-dimethoxyphenyl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone (CID 998067) is (3,4-dimethoxyphenyl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone is COc1ccc(C(=O)N2CCN(Cc3ccccc3C)CC2)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is DUISJTGXDYIOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-16-6-4-5-7-18(16)15-22-10-12-23(13-11-22)21(24)17-8-9-19(25-2)20(14-17)26-3/h4-9,14H,10-13,15H2,1-3H3.
What are the key properties of (3,4-dimethoxyphenyl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone?
(3,4-dimethoxyphenyl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 354.45 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 998067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).