2-(4-acetylpiperazin-1-yl)-N-[(2-methylphenyl)methyl]-2-oxoacetamide

C16H21N3O3 — CID 108984475

IUPAC2-(4-acetylpiperazin-1-yl)-N-[(2-methylphenyl)methyl]-2-oxoacetamide
SMILESCC(=O)N1CCN(C(=O)C(=O)NCc2ccccc2C)CC1
InChIInChI=1S/C16H21N3O3/c1-12-5-3-4-6-14(12)11-17-15(21)16(22)19-9-7-18(8-10-19)13(2)20/h3-6H,7-11H2,1-2H3,(H,17,21)
InChIKeyWUKNXFNBRCTCBJ-UHFFFAOYSA-N
MW303.36 g/mol
LogP0.30
Rot. Bonds2

About 2-(4-acetylpiperazin-1-yl)-N-[(2-methylphenyl)methyl]-2-oxoacetamide

2-(4-acetylpiperazin-1-yl)-N-[(2-methylphenyl)methyl]-2-oxoacetamide (PubChem CID 108984475) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-N-[(2-methylphenyl)methyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-N-[(2-methylphenyl)methyl]-2-oxoacetamide
PubChem CID108984475
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name2-(4-acetylpiperazin-1-yl)-N-[(2-methylphenyl)methyl]-2-oxoacetamide
SMILESCC(=O)N1CCN(C(=O)C(=O)NCc2ccccc2C)CC1
InChIInChI=1S/C16H21N3O3/c1-12-5-3-4-6-14(12)11-17-15(21)16(22)19-9-7-18(8-10-19)13(2)20/h3-6H,7-11H2,1-2H3,(H,17,21)
InChIKeyWUKNXFNBRCTCBJ-UHFFFAOYSA-N
XLogP0.30
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-acetylpiperazine-1-carbonyl)-N-[(2-methylphenyl)methyl]cyclopropane-1-carboxamide
CID 108974414
1-(4-acetylpiperazin-1-yl)-2-[(2-methylphenyl)methylamino]ethanone
CID 108996100
2-(4-acetylpiperazine-1-carbonyl)-N-[(2-methylphenyl)methyl]cyclopropane-1-carboxamide
CID 109134650
N-[(2-methylphenyl)methyl]piperidine-1-carboxamide
CID 108897154
2-(4-acetylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-2-oxoacetamide
CID 108984477
N-[(2-fluorophenyl)methyl]-2-oxo-2-piperidin-1-ylacetamide
CID 108517300
N-[(2-methoxyphenyl)methyl]-2-oxo-2-piperidin-1-ylacetamide
CID 108517303
N-[(2-methylphenyl)methyl]-4-propylpiperazine-1-carboxamide
CID 113103138
1-[4-[2-[(2-methylphenyl)methylamino]pyrimidine-5-carbonyl]piperazin-1-yl]ethanone
CID 109254606
N-[(2-methylphenyl)methyl]-N'-phenyloxamide
CID 2174485
N'-butan-2-yl-N-[(2-methylphenyl)methyl]oxamide
CID 17201961
N-[(2-methylphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108897251

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-[(2-methylphenyl)methyl]-2-oxoacetamide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-[(2-methylphenyl)methyl]-2-oxoacetamide (CID 108984475) is 2-(4-acetylpiperazin-1-yl)-N-[(2-methylphenyl)methyl]-2-oxoacetamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-N-[(2-methylphenyl)methyl]-2-oxoacetamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-N-[(2-methylphenyl)methyl]-2-oxoacetamide is CC(=O)N1CCN(C(=O)C(=O)NCc2ccccc2C)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-N-[(2-methylphenyl)methyl]-2-oxoacetamide?
The InChIKey is WUKNXFNBRCTCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-12-5-3-4-6-14(12)11-17-15(21)16(22)19-9-7-18(8-10-19)13(2)20/h3-6H,7-11H2,1-2H3,(H,17,21).
What are the key properties of 2-(4-acetylpiperazin-1-yl)-N-[(2-methylphenyl)methyl]-2-oxoacetamide?
2-(4-acetylpiperazin-1-yl)-N-[(2-methylphenyl)methyl]-2-oxoacetamide has a molecular weight of 303.36 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-N-[(2-methylphenyl)methyl]-2-oxoacetamide is sourced from PubChem (CID 108984475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).