2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(4-phenoxyphenyl)acetamide

C24H25ClN3O2+ — CID 6958022

IUPAC2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(4-phenoxyphenyl)acetamide
SMILESO=C(C[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C24H24ClN3O2/c25-19-5-4-6-21(17-19)28-15-13-27(14-16-28)18-24(29)26-20-9-11-23(12-10-20)30-22-7-2-1-3-8-22/h1-12,17H,13-16,18H2,(H,26,29)/p+1
InChIKeyHQODTXWUVKNYSF-UHFFFAOYSA-O
MW422.94 g/mol
LogP3.48
Rot. Bonds6

About 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(4-phenoxyphenyl)acetamide

2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(4-phenoxyphenyl)acetamide (PubChem CID 6958022) has the molecular formula C24H25ClN3O2+ and a molecular weight of 422.94 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(4-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(4-phenoxyphenyl)acetamide
PubChem CID6958022
Molecular FormulaC24H25ClN3O2+
Molecular Weight422.94 g/mol
Exact Mass422.16
IUPAC Name2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(4-phenoxyphenyl)acetamide
SMILESO=C(C[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C24H24ClN3O2/c25-19-5-4-6-21(17-19)28-15-13-27(14-16-28)18-24(29)26-20-9-11-23(12-10-20)30-22-7-2-1-3-8-22/h1-12,17H,13-16,18H2,(H,26,29)/p+1
InChIKeyHQODTXWUVKNYSF-UHFFFAOYSA-O
XLogP3.48
TPSA46.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.94
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(4-phenoxyphenyl)acetamide 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

N-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide
CID 6958467
2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-(4-methylphenyl)acetamide
CID 2698419
2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 8592436
2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-phenylsulfanylphenyl)acetamide
CID 2124469
N-(4-chloro-2-fluorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8592500
N-(4-chloro-2-methylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8592568
N-(2,6-dichlorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 2698435
N-(3-chloro-4-cyanophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
CID 2685105
N-(2-chloro-4,6-dimethylphenyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide
CID 8529693
2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-naphthalen-2-ylacetamide
CID 2483117
2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 8529954
N-(3-chlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide
CID 8542873

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(4-phenoxyphenyl)acetamide?
The IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(4-phenoxyphenyl)acetamide (CID 6958022) is 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(4-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(4-phenoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(4-phenoxyphenyl)acetamide is O=C(C[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(4-phenoxyphenyl)acetamide?
The InChIKey is HQODTXWUVKNYSF-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H24ClN3O2/c25-19-5-4-6-21(17-19)28-15-13-27(14-16-28)18-24(29)26-20-9-11-23(12-10-20)30-22-7-2-1-3-8-22/h1-12,17H,13-16,18H2,(H,26,29)/p+1.
What are the key properties of 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(4-phenoxyphenyl)acetamide?
2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(4-phenoxyphenyl)acetamide has a molecular weight of 422.94 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(4-phenoxyphenyl)acetamide is sourced from PubChem (CID 6958022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).