N-[2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]acetamide

C21H25N3O2 — CID 1147669

IUPACN-[2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1C(=O)N1CCN(c2cccc(C)c2C)CC1
InChIInChI=1S/C21H25N3O2/c1-15-7-6-10-20(16(15)2)23-11-13-24(14-12-23)21(26)18-8-4-5-9-19(18)22-17(3)25/h4-10H,11-14H2,1-3H3,(H,22,25)
InChIKeyUZPCUJNSOHXQAO-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.22
Rot. Bonds3

About N-[2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]acetamide

N-[2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]acetamide (PubChem CID 1147669) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]acetamide
PubChem CID1147669
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1C(=O)N1CCN(c2cccc(C)c2C)CC1
InChIInChI=1S/C21H25N3O2/c1-15-7-6-10-20(16(15)2)23-11-13-24(14-12-23)21(26)18-8-4-5-9-19(18)22-17(3)25/h4-10H,11-14H2,1-3H3,(H,22,25)
InChIKeyUZPCUJNSOHXQAO-UHFFFAOYSA-N
XLogP3.22
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]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

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]acetamide?
The IUPAC name of N-[2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]acetamide (CID 1147669) is N-[2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]acetamide.
What is the SMILES notation for N-[2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]acetamide?
The canonical SMILES for N-[2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]acetamide is CC(=O)Nc1ccccc1C(=O)N1CCN(c2cccc(C)c2C)CC1.
What is the InChIKey of N-[2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]acetamide?
The InChIKey is UZPCUJNSOHXQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-15-7-6-10-20(16(15)2)23-11-13-24(14-12-23)21(26)18-8-4-5-9-19(18)22-17(3)25/h4-10H,11-14H2,1-3H3,(H,22,25).
What are the key properties of N-[2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]acetamide?
N-[2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]acetamide has a molecular weight of 351.45 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]acetamide is sourced from PubChem (CID 1147669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).