1-[4-[2-(3,4-dimethylphenoxy)acetyl]piperazin-1-yl]-2-(4-propylphenoxy)ethanone

C25H32N2O4 — CID 108535804

IUPAC1-[4-[2-(3,4-dimethylphenoxy)acetyl]piperazin-1-yl]-2-(4-propylphenoxy)ethanone
SMILESCCCc1ccc(OCC(=O)N2CCN(C(=O)COc3ccc(C)c(C)c3)CC2)cc1
InChIInChI=1S/C25H32N2O4/c1-4-5-21-7-10-22(11-8-21)30-17-24(28)26-12-14-27(15-13-26)25(29)18-31-23-9-6-19(2)20(3)16-23/h6-11,16H,4-5,12-15,17-18H2,1-3H3
InChIKeyZOXOEFRTYDJSJY-UHFFFAOYSA-N
MW424.54 g/mol
LogP3.38
Rot. Bonds8

About 1-[4-[2-(3,4-dimethylphenoxy)acetyl]piperazin-1-yl]-2-(4-propylphenoxy)ethanone

1-[4-[2-(3,4-dimethylphenoxy)acetyl]piperazin-1-yl]-2-(4-propylphenoxy)ethanone (PubChem CID 108535804) has the molecular formula C25H32N2O4 and a molecular weight of 424.54 g/mol. Its IUPAC name is 1-[4-[2-(3,4-dimethylphenoxy)acetyl]piperazin-1-yl]-2-(4-propylphenoxy)ethanone.

Molecular Properties

Compound Name1-[4-[2-(3,4-dimethylphenoxy)acetyl]piperazin-1-yl]-2-(4-propylphenoxy)ethanone
PubChem CID108535804
Molecular FormulaC25H32N2O4
Molecular Weight424.54 g/mol
Exact Mass424.24
IUPAC Name1-[4-[2-(3,4-dimethylphenoxy)acetyl]piperazin-1-yl]-2-(4-propylphenoxy)ethanone
SMILESCCCc1ccc(OCC(=O)N2CCN(C(=O)COc3ccc(C)c(C)c3)CC2)cc1
InChIInChI=1S/C25H32N2O4/c1-4-5-21-7-10-22(11-8-21)30-17-24(28)26-12-14-27(15-13-26)25(29)18-31-23-9-6-19(2)20(3)16-23/h6-11,16H,4-5,12-15,17-18H2,1-3H3
InChIKeyZOXOEFRTYDJSJY-UHFFFAOYSA-N
XLogP3.38
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[2-(3,4-dimethylphenoxy)acetyl]piperazin-1-yl]-2-(4-propylphenoxy)ethanone with MolForge

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

Launch Full Analysis

Related Compounds

1-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-2-(4-propylphenoxy)ethanone
CID 108535900
2-phenoxy-1-[4-[2-(4-propylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 108535883
methyl 4-[2-(4-propylphenoxy)acetyl]piperazine-1-carboxylate
CID 108568845
2-(3,4-dimethylphenoxy)-1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]ethanone
CID 110308570
1-[4-[2-(3,4-dimethylphenoxy)acetyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 48867807
1-[4-(4-methylbenzoyl)piperazin-1-yl]-2-(4-propylphenoxy)ethanone
CID 108533580
2-(4-chlorophenoxy)-1-[4-[2-(3,4-dimethylphenoxy)acetyl]-1,4-diazepan-1-yl]ethanone
CID 108546619
1-[4-(3,5-dihydroxybenzoyl)piperazin-1-yl]-2-(4-propylphenoxy)ethanone
CID 108535906
1-[4-[2-(3,4-dimethylphenoxy)acetyl]piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 108568804
2-(3,4-dimethylphenoxy)-1-(4-propylphenyl)ethanone
CID 43412300
1-[4-(4-ethoxybenzoyl)piperazin-1-yl]-2-(4-propylphenoxy)ethanone
CID 108535113
2-(3,4-dimethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 797864

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(3,4-dimethylphenoxy)acetyl]piperazin-1-yl]-2-(4-propylphenoxy)ethanone?
The IUPAC name of 1-[4-[2-(3,4-dimethylphenoxy)acetyl]piperazin-1-yl]-2-(4-propylphenoxy)ethanone (CID 108535804) is 1-[4-[2-(3,4-dimethylphenoxy)acetyl]piperazin-1-yl]-2-(4-propylphenoxy)ethanone.
What is the SMILES notation for 1-[4-[2-(3,4-dimethylphenoxy)acetyl]piperazin-1-yl]-2-(4-propylphenoxy)ethanone?
The canonical SMILES for 1-[4-[2-(3,4-dimethylphenoxy)acetyl]piperazin-1-yl]-2-(4-propylphenoxy)ethanone is CCCc1ccc(OCC(=O)N2CCN(C(=O)COc3ccc(C)c(C)c3)CC2)cc1.
What is the InChIKey of 1-[4-[2-(3,4-dimethylphenoxy)acetyl]piperazin-1-yl]-2-(4-propylphenoxy)ethanone?
The InChIKey is ZOXOEFRTYDJSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O4/c1-4-5-21-7-10-22(11-8-21)30-17-24(28)26-12-14-27(15-13-26)25(29)18-31-23-9-6-19(2)20(3)16-23/h6-11,16H,4-5,12-15,17-18H2,1-3H3.
What are the key properties of 1-[4-[2-(3,4-dimethylphenoxy)acetyl]piperazin-1-yl]-2-(4-propylphenoxy)ethanone?
1-[4-[2-(3,4-dimethylphenoxy)acetyl]piperazin-1-yl]-2-(4-propylphenoxy)ethanone has a molecular weight of 424.54 g/mol, XLogP of 3.38, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(3,4-dimethylphenoxy)acetyl]piperazin-1-yl]-2-(4-propylphenoxy)ethanone is sourced from PubChem (CID 108535804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).