2-(2-methylphenyl)-N-[4-(4-phenylpiperazin-1-yl)phenyl]acetamide

C25H27N3O — CID 112983952

IUPAC2-(2-methylphenyl)-N-[4-(4-phenylpiperazin-1-yl)phenyl]acetamide
SMILESCc1ccccc1CC(=O)Nc1ccc(N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C25H27N3O/c1-20-7-5-6-8-21(20)19-25(29)26-22-11-13-24(14-12-22)28-17-15-27(16-18-28)23-9-3-2-4-10-23/h2-14H,15-19H2,1H3,(H,26,29)
InChIKeyUQWUSNAOZRGSHH-UHFFFAOYSA-N
MW385.51 g/mol
LogP4.50
Rot. Bonds5

About 2-(2-methylphenyl)-N-[4-(4-phenylpiperazin-1-yl)phenyl]acetamide

2-(2-methylphenyl)-N-[4-(4-phenylpiperazin-1-yl)phenyl]acetamide (PubChem CID 112983952) has the molecular formula C25H27N3O and a molecular weight of 385.51 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-[4-(4-phenylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-[4-(4-phenylpiperazin-1-yl)phenyl]acetamide
PubChem CID112983952
Molecular FormulaC25H27N3O
Molecular Weight385.51 g/mol
Exact Mass385.22
IUPAC Name2-(2-methylphenyl)-N-[4-(4-phenylpiperazin-1-yl)phenyl]acetamide
SMILESCc1ccccc1CC(=O)Nc1ccc(N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C25H27N3O/c1-20-7-5-6-8-21(20)19-25(29)26-22-11-13-24(14-12-22)28-17-15-27(16-18-28)23-9-3-2-4-10-23/h2-14H,15-19H2,1H3,(H,26,29)
InChIKeyUQWUSNAOZRGSHH-UHFFFAOYSA-N
XLogP4.50
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2-(2-methylphenyl)-N-[4-(4-phenylpiperazin-1-yl)phenyl]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-(4-acetylpiperazin-1-yl)phenyl]-3-(2-methylphenyl)propanamide
CID 110673094
2-[2-[4-(4-acetylpiperazin-1-yl)anilino]-2-oxoethyl]benzoic acid
CID 56761664
3,3-dimethyl-N-[4-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]phenyl]butanamide
CID 1057811
N-[(2-methylphenyl)methyl]-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108984636
2-(4-fluorophenyl)-N-[4-(4-phenylpiperazin-1-yl)phenyl]acetamide
CID 112983945
[2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 16625383
2-(2-methylphenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]acetamide
CID 51327232
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-phenylacetamide
CID 969221
N-[4-(azepan-1-yl)phenyl]-2-phenylacetamide
CID 16620353
2-(2-aminophenyl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 28712679
N-(4-acetylphenyl)-2-(2-methylphenyl)acetamide
CID 24696355
2-[methyl-[(2-methylphenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592084

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-[4-(4-phenylpiperazin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(2-methylphenyl)-N-[4-(4-phenylpiperazin-1-yl)phenyl]acetamide (CID 112983952) is 2-(2-methylphenyl)-N-[4-(4-phenylpiperazin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2-methylphenyl)-N-[4-(4-phenylpiperazin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(2-methylphenyl)-N-[4-(4-phenylpiperazin-1-yl)phenyl]acetamide is Cc1ccccc1CC(=O)Nc1ccc(N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 2-(2-methylphenyl)-N-[4-(4-phenylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is UQWUSNAOZRGSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O/c1-20-7-5-6-8-21(20)19-25(29)26-22-11-13-24(14-12-22)28-17-15-27(16-18-28)23-9-3-2-4-10-23/h2-14H,15-19H2,1H3,(H,26,29).
What are the key properties of 2-(2-methylphenyl)-N-[4-(4-phenylpiperazin-1-yl)phenyl]acetamide?
2-(2-methylphenyl)-N-[4-(4-phenylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 385.51 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-[4-(4-phenylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 112983952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).