4-(4-acetylphenyl)-N-(4-chlorophenyl)piperazine-1-carboxamide

C19H20ClN3O2 — CID 4150876

IUPAC4-(4-acetylphenyl)-N-(4-chlorophenyl)piperazine-1-carboxamide
SMILESCC(=O)c1ccc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C19H20ClN3O2/c1-14(24)15-2-8-18(9-3-15)22-10-12-23(13-11-22)19(25)21-17-6-4-16(20)5-7-17/h2-9H,10-13H2,1H3,(H,21,25)
InChIKeyQTOKUUORHAGPSO-UHFFFAOYSA-N
MW357.84 g/mol
LogP3.90
Rot. Bonds3

About 4-(4-acetylphenyl)-N-(4-chlorophenyl)piperazine-1-carboxamide

4-(4-acetylphenyl)-N-(4-chlorophenyl)piperazine-1-carboxamide (PubChem CID 4150876) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is 4-(4-acetylphenyl)-N-(4-chlorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-acetylphenyl)-N-(4-chlorophenyl)piperazine-1-carboxamide
PubChem CID4150876
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Name4-(4-acetylphenyl)-N-(4-chlorophenyl)piperazine-1-carboxamide
SMILESCC(=O)c1ccc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C19H20ClN3O2/c1-14(24)15-2-8-18(9-3-15)22-10-12-23(13-11-22)19(25)21-17-6-4-16(20)5-7-17/h2-9H,10-13H2,1H3,(H,21,25)
InChIKeyQTOKUUORHAGPSO-UHFFFAOYSA-N
XLogP3.90
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-acetylphenyl)-N-(4-chlorophenyl)piperazine-1-carboxamide 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 4-(4-acetylphenyl)-N-(4-chlorophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-acetylphenyl)-N-(4-chlorophenyl)piperazine-1-carboxamide (CID 4150876) is 4-(4-acetylphenyl)-N-(4-chlorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-acetylphenyl)-N-(4-chlorophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-acetylphenyl)-N-(4-chlorophenyl)piperazine-1-carboxamide is CC(=O)c1ccc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 4-(4-acetylphenyl)-N-(4-chlorophenyl)piperazine-1-carboxamide?
The InChIKey is QTOKUUORHAGPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c1-14(24)15-2-8-18(9-3-15)22-10-12-23(13-11-22)19(25)21-17-6-4-16(20)5-7-17/h2-9H,10-13H2,1H3,(H,21,25).
What are the key properties of 4-(4-acetylphenyl)-N-(4-chlorophenyl)piperazine-1-carboxamide?
4-(4-acetylphenyl)-N-(4-chlorophenyl)piperazine-1-carboxamide has a molecular weight of 357.84 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylphenyl)-N-(4-chlorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 4150876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).