N-(2,4-dimethylphenyl)-2-oxo-2-piperazin-1-ylacetamide

C14H19N3O2 — CID 28507375

IUPACN-(2,4-dimethylphenyl)-2-oxo-2-piperazin-1-ylacetamide
SMILESCc1ccc(NC(=O)C(=O)N2CCNCC2)c(C)c1
InChIInChI=1S/C14H19N3O2/c1-10-3-4-12(11(2)9-10)16-13(18)14(19)17-7-5-15-6-8-17/h3-4,9,15H,5-8H2,1-2H3,(H,16,18)
InChIKeyWHGSPGXQQOQQPB-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.67
Rot. Bonds1

About N-(2,4-dimethylphenyl)-2-oxo-2-piperazin-1-ylacetamide

N-(2,4-dimethylphenyl)-2-oxo-2-piperazin-1-ylacetamide (PubChem CID 28507375) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-oxo-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-oxo-2-piperazin-1-ylacetamide
PubChem CID28507375
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-(2,4-dimethylphenyl)-2-oxo-2-piperazin-1-ylacetamide
SMILESCc1ccc(NC(=O)C(=O)N2CCNCC2)c(C)c1
InChIInChI=1S/C14H19N3O2/c1-10-3-4-12(11(2)9-10)16-13(18)14(19)17-7-5-15-6-8-17/h3-4,9,15H,5-8H2,1-2H3,(H,16,18)
InChIKeyWHGSPGXQQOQQPB-UHFFFAOYSA-N
XLogP0.67
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2,4-dimethylphenyl)-2-oxo-2-piperazin-1-ylacetamide 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-(2,4-dimethylphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide
CID 110901731
N-(2,5-dichloro-4-methylphenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 104727779
N,N'-bis(2,4-dimethylphenyl)oxamide
CID 3416969
N-(2,4-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetamide
CID 44902700
2-(1,4-diazepan-1-yl)-N-(4-methylphenyl)-2-oxoacetamide
CID 43327555
N-(2,4-dimethylphenyl)-3-piperazin-1-ylpropanamide
CID 28807910
2-(1,4-diazepan-1-yl)-N-(2,3-dimethylphenyl)-2-oxoacetamide
CID 43327572
N-(2-bromo-4-methylphenyl)-2-oxo-2-pyrrolidin-1-ylacetamide
CID 47335620
2-(1,4-diazepan-1-yl)-N-(2,5-difluoro-4-methylphenyl)-2-oxoacetamide
CID 103586827
N-(4-hydroxy-2-methylphenyl)-2-morpholin-4-yl-2-oxoacetamide
CID 108509448
N-(4-chloro-2-methylphenyl)piperazine-1-carboxamide
CID 22615613
N-(2,5-dibromophenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 61468238

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-oxo-2-piperazin-1-ylacetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-oxo-2-piperazin-1-ylacetamide (CID 28507375) is N-(2,4-dimethylphenyl)-2-oxo-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-oxo-2-piperazin-1-ylacetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-oxo-2-piperazin-1-ylacetamide is Cc1ccc(NC(=O)C(=O)N2CCNCC2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-oxo-2-piperazin-1-ylacetamide?
The InChIKey is WHGSPGXQQOQQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10-3-4-12(11(2)9-10)16-13(18)14(19)17-7-5-15-6-8-17/h3-4,9,15H,5-8H2,1-2H3,(H,16,18).
What are the key properties of N-(2,4-dimethylphenyl)-2-oxo-2-piperazin-1-ylacetamide?
N-(2,4-dimethylphenyl)-2-oxo-2-piperazin-1-ylacetamide has a molecular weight of 261.32 g/mol, XLogP of 0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-oxo-2-piperazin-1-ylacetamide is sourced from PubChem (CID 28507375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).