2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide

C21H25N3O2 — CID 108521011

IUPAC2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide
SMILESCc1cccc(N2CCN(C(=O)C(=O)N(C)c3ccccc3)CC2)c1C
InChIInChI=1S/C21H25N3O2/c1-16-8-7-11-19(17(16)2)23-12-14-24(15-13-23)21(26)20(25)22(3)18-9-5-4-6-10-18/h4-11H,12-15H2,1-3H3
InChIKeyHITKUQOUSVLTFF-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.62
Rot. Bonds2

About 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide

2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide (PubChem CID 108521011) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide
PubChem CID108521011
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide
SMILESCc1cccc(N2CCN(C(=O)C(=O)N(C)c3ccccc3)CC2)c1C
InChIInChI=1S/C21H25N3O2/c1-16-8-7-11-19(17(16)2)23-12-14-24(15-13-23)21(26)20(25)22(3)18-9-5-4-6-10-18/h4-11H,12-15H2,1-3H3
InChIKeyHITKUQOUSVLTFF-UHFFFAOYSA-N
XLogP2.62
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N,2,2-trimethyl-3-oxo-N-phenylpropanamide
CID 108965462
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide
CID 108520976
4-(2,3-dimethylphenyl)-N,N-diphenylpiperazine-1-carboxamide
CID 1305709
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-N-phenylpropanamide
CID 109029653
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxoacetamide
CID 108507340
N-methyl-2-(4-methylpiperazin-1-yl)-2-oxo-N-phenylacetamide
CID 47336148
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethane-1,2-dione
CID 108530720
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(4-hydroxyphenyl)-N-methyl-2-oxoacetamide
CID 108528480
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide
CID 108986682
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 673636
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 108531669
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(1-methylpyrrol-2-yl)ethane-1,2-dione
CID 53123920

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide?
The IUPAC name of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide (CID 108521011) is 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide.
What is the SMILES notation for 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide?
The canonical SMILES for 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide is Cc1cccc(N2CCN(C(=O)C(=O)N(C)c3ccccc3)CC2)c1C.
What is the InChIKey of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide?
The InChIKey is HITKUQOUSVLTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-16-8-7-11-19(17(16)2)23-12-14-24(15-13-23)21(26)20(25)22(3)18-9-5-4-6-10-18/h4-11H,12-15H2,1-3H3.
What are the key properties of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide?
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide has a molecular weight of 351.45 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide is sourced from PubChem (CID 108521011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).