2-(4-acetylpiperazin-1-yl)-N-[3-(dimethylamino)phenyl]-2-oxoacetamide

C16H22N4O3 — CID 108508411

IUPAC2-(4-acetylpiperazin-1-yl)-N-[3-(dimethylamino)phenyl]-2-oxoacetamide
SMILESCC(=O)N1CCN(C(=O)C(=O)Nc2cccc(N(C)C)c2)CC1
InChIInChI=1S/C16H22N4O3/c1-12(21)19-7-9-20(10-8-19)16(23)15(22)17-13-5-4-6-14(11-13)18(2)3/h4-6,11H,7-10H2,1-3H3,(H,17,22)
InChIKeyJCYSNEIQVOGXOL-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.38
Rot. Bonds2

About 2-(4-acetylpiperazin-1-yl)-N-[3-(dimethylamino)phenyl]-2-oxoacetamide

2-(4-acetylpiperazin-1-yl)-N-[3-(dimethylamino)phenyl]-2-oxoacetamide (PubChem CID 108508411) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-N-[3-(dimethylamino)phenyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-N-[3-(dimethylamino)phenyl]-2-oxoacetamide
PubChem CID108508411
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name2-(4-acetylpiperazin-1-yl)-N-[3-(dimethylamino)phenyl]-2-oxoacetamide
SMILESCC(=O)N1CCN(C(=O)C(=O)Nc2cccc(N(C)C)c2)CC1
InChIInChI=1S/C16H22N4O3/c1-12(21)19-7-9-20(10-8-19)16(23)15(22)17-13-5-4-6-14(11-13)18(2)3/h4-6,11H,7-10H2,1-3H3,(H,17,22)
InChIKeyJCYSNEIQVOGXOL-UHFFFAOYSA-N
XLogP0.38
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)phenyl]azetidine-1-carboxamide
CID 69092727
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[3-(dimethylamino)phenyl]-2-oxoacetamide
CID 108505690
N-[3-(dimethylamino)phenyl]-N'-(4-methylpiperazin-1-yl)oxamide
CID 108529126
2-(4-acetylpiperazin-1-yl)-N-(1,3-benzodioxol-5-yl)-2-oxoacetamide
CID 108508457
[3-(dimethylamino)phenyl]carbamic acid
CID 91129511
N'-(3-chlorophenyl)-N-[3-(dimethylamino)phenyl]oxamide
CID 108516523
N-(3-acetylphenyl)-2-oxo-2-piperidin-1-ylacetamide
CID 2194073
2-(4-acetylpiperazin-1-yl)-N-[4-(diethylamino)phenyl]-2-oxoacetamide
CID 108508432
N'-(2,6-diethylphenyl)-N-[3-(dimethylamino)phenyl]oxamide
CID 108511487
N-[3-[[3-(dimethylamino)phenyl]carbamoylamino]phenyl]acetamide
CID 108884172
N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-[3-(dimethylamino)phenyl]oxamide
CID 108529070
2-(4-acetylpiperazin-1-yl)-2-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 87039923

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-[3-(dimethylamino)phenyl]-2-oxoacetamide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-[3-(dimethylamino)phenyl]-2-oxoacetamide (CID 108508411) is 2-(4-acetylpiperazin-1-yl)-N-[3-(dimethylamino)phenyl]-2-oxoacetamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-N-[3-(dimethylamino)phenyl]-2-oxoacetamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-N-[3-(dimethylamino)phenyl]-2-oxoacetamide is CC(=O)N1CCN(C(=O)C(=O)Nc2cccc(N(C)C)c2)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-N-[3-(dimethylamino)phenyl]-2-oxoacetamide?
The InChIKey is JCYSNEIQVOGXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-12(21)19-7-9-20(10-8-19)16(23)15(22)17-13-5-4-6-14(11-13)18(2)3/h4-6,11H,7-10H2,1-3H3,(H,17,22).
What are the key properties of 2-(4-acetylpiperazin-1-yl)-N-[3-(dimethylamino)phenyl]-2-oxoacetamide?
2-(4-acetylpiperazin-1-yl)-N-[3-(dimethylamino)phenyl]-2-oxoacetamide has a molecular weight of 318.38 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-N-[3-(dimethylamino)phenyl]-2-oxoacetamide is sourced from PubChem (CID 108508411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).