2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide

C21H26ClN3O — CID 983038

IUPAC2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)CN2CCN(c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C21H26ClN3O/c1-16(2)17-6-8-19(9-7-17)23-21(26)15-24-10-12-25(13-11-24)20-5-3-4-18(22)14-20/h3-9,14,16H,10-13,15H2,1-2H3,(H,23,26)
InChIKeyQPQWEAQWUYNFGB-UHFFFAOYSA-N
MW371.91 g/mol
LogP4.22
Rot. Bonds5

About 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide

2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 983038) has the molecular formula C21H26ClN3O and a molecular weight of 371.91 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
PubChem CID983038
Molecular FormulaC21H26ClN3O
Molecular Weight371.91 g/mol
Exact Mass371.18
IUPAC Name2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)CN2CCN(c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C21H26ClN3O/c1-16(2)17-6-8-19(9-7-17)23-21(26)15-24-10-12-25(13-11-24)20-5-3-4-18(22)14-20/h3-9,14,16H,10-13,15H2,1-2H3,(H,23,26)
InChIKeyQPQWEAQWUYNFGB-UHFFFAOYSA-N
XLogP4.22
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.91
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)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-(3-chlorophenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide (CID 983038) is 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(NC(=O)CN2CCN(c3cccc(Cl)c3)CC2)cc1.
What is the InChIKey of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is QPQWEAQWUYNFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O/c1-16(2)17-6-8-19(9-7-17)23-21(26)15-24-10-12-25(13-11-24)20-5-3-4-18(22)14-20/h3-9,14,16H,10-13,15H2,1-2H3,(H,23,26).
What are the key properties of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide?
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 371.91 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 983038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).