2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide

C20H24ClN3O2 — CID 5061501

IUPAC2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CN2CCN(c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C20H24ClN3O2/c1-2-26-19-9-5-17(6-10-19)22-20(25)15-23-11-13-24(14-12-23)18-7-3-16(21)4-8-18/h3-10H,2,11-15H2,1H3,(H,22,25)
InChIKeyPJTCRKSONRQCSZ-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.50
Rot. Bonds6

About 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide

2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide (PubChem CID 5061501) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
PubChem CID5061501
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Name2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CN2CCN(c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C20H24ClN3O2/c1-2-26-19-9-5-17(6-10-19)22-20(25)15-23-11-13-24(14-12-23)18-7-3-16(21)4-8-18/h3-10H,2,11-15H2,1H3,(H,22,25)
InChIKeyPJTCRKSONRQCSZ-UHFFFAOYSA-N
XLogP3.50
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide 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 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide (CID 5061501) is 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)CN2CCN(c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide?
The InChIKey is PJTCRKSONRQCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-2-26-19-9-5-17(6-10-19)22-20(25)15-23-11-13-24(14-12-23)18-7-3-16(21)4-8-18/h3-10H,2,11-15H2,1H3,(H,22,25).
What are the key properties of 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide?
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide has a molecular weight of 373.88 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 5061501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).