2-(3-methyl-2,6-dioxopiperazin-1-yl)-N-(4-methylphenyl)acetamide

C14H17N3O3 — CID 66073547

IUPAC2-(3-methyl-2,6-dioxopiperazin-1-yl)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)CNC(C)C2=O)cc1
InChIInChI=1S/C14H17N3O3/c1-9-3-5-11(6-4-9)16-12(18)8-17-13(19)7-15-10(2)14(17)20/h3-6,10,15H,7-8H2,1-2H3,(H,16,18)
InChIKeyGCORIXFMTSYVNJ-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.28
Rot. Bonds3

About 2-(3-methyl-2,6-dioxopiperazin-1-yl)-N-(4-methylphenyl)acetamide

2-(3-methyl-2,6-dioxopiperazin-1-yl)-N-(4-methylphenyl)acetamide (PubChem CID 66073547) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-(3-methyl-2,6-dioxopiperazin-1-yl)-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-methyl-2,6-dioxopiperazin-1-yl)-N-(4-methylphenyl)acetamide
PubChem CID66073547
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-(3-methyl-2,6-dioxopiperazin-1-yl)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)CNC(C)C2=O)cc1
InChIInChI=1S/C14H17N3O3/c1-9-3-5-11(6-4-9)16-12(18)8-17-13(19)7-15-10(2)14(17)20/h3-6,10,15H,7-8H2,1-2H3,(H,16,18)
InChIKeyGCORIXFMTSYVNJ-UHFFFAOYSA-N
XLogP0.28
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-fluorophenyl)-2-(3-methyl-2,6-dioxopiperazin-1-yl)acetamide
CID 66075865
2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-(4-methylphenyl)acetamide
CID 3272624
N-(2-methoxyphenyl)-2-(3-methyl-2,6-dioxopiperazin-1-yl)acetamide
CID 66073940
2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(4-methylphenyl)acetamide
CID 2666301
2-[(1S,2S,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-(4-methylphenyl)acetamide
CID 6567246
2-(3,5-dimethylpiperazin-1-yl)-N-(4-methylphenyl)acetamide
CID 63874471
2-[(1S,2S,6R,7S,8S,9R)-8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-(4-methylphenyl)acetamide
CID 98164690
N-(4-methylphenyl)-2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2486566
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-methylphenyl)acetamide
CID 2701811
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-methylphenyl)acetamide
CID 2377118
N-(4-cyanophenyl)-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)acetamide
CID 61238107
2-(2,5-dimethylpiperazin-1-yl)-N-(4-methylphenyl)acetamide
CID 64980300

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2,6-dioxopiperazin-1-yl)-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(3-methyl-2,6-dioxopiperazin-1-yl)-N-(4-methylphenyl)acetamide (CID 66073547) is 2-(3-methyl-2,6-dioxopiperazin-1-yl)-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(3-methyl-2,6-dioxopiperazin-1-yl)-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(3-methyl-2,6-dioxopiperazin-1-yl)-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN2C(=O)CNC(C)C2=O)cc1.
What is the InChIKey of 2-(3-methyl-2,6-dioxopiperazin-1-yl)-N-(4-methylphenyl)acetamide?
The InChIKey is GCORIXFMTSYVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-9-3-5-11(6-4-9)16-12(18)8-17-13(19)7-15-10(2)14(17)20/h3-6,10,15H,7-8H2,1-2H3,(H,16,18).
What are the key properties of 2-(3-methyl-2,6-dioxopiperazin-1-yl)-N-(4-methylphenyl)acetamide?
2-(3-methyl-2,6-dioxopiperazin-1-yl)-N-(4-methylphenyl)acetamide has a molecular weight of 275.31 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2,6-dioxopiperazin-1-yl)-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 66073547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).