N-(2-amino-4-methylphenyl)-2-(2-methyl-3-oxopiperazin-1-yl)acetamide

C14H20N4O2 — CID 63596286

IUPACN-(2-amino-4-methylphenyl)-2-(2-methyl-3-oxopiperazin-1-yl)acetamide
SMILESCc1ccc(NC(=O)CN2CCNC(=O)C2C)c(N)c1
InChIInChI=1S/C14H20N4O2/c1-9-3-4-12(11(15)7-9)17-13(19)8-18-6-5-16-14(20)10(18)2/h3-4,7,10H,5-6,8,15H2,1-2H3,(H,16,20)(H,17,19)
InChIKeyLJVQBQTUMDIICG-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.34
Rot. Bonds3

About N-(2-amino-4-methylphenyl)-2-(2-methyl-3-oxopiperazin-1-yl)acetamide

N-(2-amino-4-methylphenyl)-2-(2-methyl-3-oxopiperazin-1-yl)acetamide (PubChem CID 63596286) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(2-amino-4-methylphenyl)-2-(2-methyl-3-oxopiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-amino-4-methylphenyl)-2-(2-methyl-3-oxopiperazin-1-yl)acetamide
PubChem CID63596286
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN-(2-amino-4-methylphenyl)-2-(2-methyl-3-oxopiperazin-1-yl)acetamide
SMILESCc1ccc(NC(=O)CN2CCNC(=O)C2C)c(N)c1
InChIInChI=1S/C14H20N4O2/c1-9-3-4-12(11(15)7-9)17-13(19)8-18-6-5-16-14(20)10(18)2/h3-4,7,10H,5-6,8,15H2,1-2H3,(H,16,20)(H,17,19)
InChIKeyLJVQBQTUMDIICG-UHFFFAOYSA-N
XLogP0.34
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-amino-4-methylphenyl)-2-(2-methyl-3-oxopiperazin-1-yl)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-(3-aminophenyl)-2-(2-methyl-3-oxopiperazin-1-yl)acetamide
CID 63596455
2-(2-methyl-3-oxopiperazin-1-yl)acetohydrazide
CID 63607560
N-(2-amino-4-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 28867092
N-(2-amino-4-methylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)acetamide
CID 103505292
N-(2-amino-4-methylphenyl)-2-(3,5-dioxomorpholin-4-yl)acetamide
CID 61311165
N-(2-amino-5-fluorophenyl)-2-(2-ethyl-3-oxopiperazin-1-yl)acetamide
CID 63602687
N-(2,4-dimethylphenyl)-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride
CID 119916399
2-(2-methyl-3-oxopiperazin-1-yl)ethanethioamide
CID 63596493
N-(2-amino-4-methylphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 66391472
N-(2-amino-4-methylphenyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 43375794
N-(2-amino-4-methylphenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]acetamide
CID 81452037
N-(2-chloro-4-methylphenyl)-2-(2-methylpiperazin-1-yl)acetamide
CID 62673321

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methylphenyl)-2-(2-methyl-3-oxopiperazin-1-yl)acetamide?
The IUPAC name of N-(2-amino-4-methylphenyl)-2-(2-methyl-3-oxopiperazin-1-yl)acetamide (CID 63596286) is N-(2-amino-4-methylphenyl)-2-(2-methyl-3-oxopiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2-amino-4-methylphenyl)-2-(2-methyl-3-oxopiperazin-1-yl)acetamide?
The canonical SMILES for N-(2-amino-4-methylphenyl)-2-(2-methyl-3-oxopiperazin-1-yl)acetamide is Cc1ccc(NC(=O)CN2CCNC(=O)C2C)c(N)c1.
What is the InChIKey of N-(2-amino-4-methylphenyl)-2-(2-methyl-3-oxopiperazin-1-yl)acetamide?
The InChIKey is LJVQBQTUMDIICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-9-3-4-12(11(15)7-9)17-13(19)8-18-6-5-16-14(20)10(18)2/h3-4,7,10H,5-6,8,15H2,1-2H3,(H,16,20)(H,17,19).
What are the key properties of N-(2-amino-4-methylphenyl)-2-(2-methyl-3-oxopiperazin-1-yl)acetamide?
N-(2-amino-4-methylphenyl)-2-(2-methyl-3-oxopiperazin-1-yl)acetamide has a molecular weight of 276.34 g/mol, XLogP of 0.34, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methylphenyl)-2-(2-methyl-3-oxopiperazin-1-yl)acetamide is sourced from PubChem (CID 63596286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).