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

C18H26N4O3 — CID 108508432

IUPAC2-(4-acetylpiperazin-1-yl)-N-[4-(diethylamino)phenyl]-2-oxoacetamide
SMILESCCN(CC)c1ccc(NC(=O)C(=O)N2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C18H26N4O3/c1-4-20(5-2)16-8-6-15(7-9-16)19-17(24)18(25)22-12-10-21(11-13-22)14(3)23/h6-9H,4-5,10-13H2,1-3H3,(H,19,24)
InChIKeyMQVUCBKPNGRQTF-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.16
Rot. Bonds4

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

2-(4-acetylpiperazin-1-yl)-N-[4-(diethylamino)phenyl]-2-oxoacetamide (PubChem CID 108508432) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-N-[4-(diethylamino)phenyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-N-[4-(diethylamino)phenyl]-2-oxoacetamide
PubChem CID108508432
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name2-(4-acetylpiperazin-1-yl)-N-[4-(diethylamino)phenyl]-2-oxoacetamide
SMILESCCN(CC)c1ccc(NC(=O)C(=O)N2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C18H26N4O3/c1-4-20(5-2)16-8-6-15(7-9-16)19-17(24)18(25)22-12-10-21(11-13-22)14(3)23/h6-9H,4-5,10-13H2,1-3H3,(H,19,24)
InChIKeyMQVUCBKPNGRQTF-UHFFFAOYSA-N
XLogP1.16
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[4-(diethylamino)phenyl]-2-(4-methylpiperidin-1-yl)-2-oxoacetamide
CID 108504633
N-[4-(diethylamino)phenyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108530576
2-(4-acetylpiperazin-1-yl)-N-(4-ethoxyphenyl)-2-oxoacetamide
CID 108508300
N-(4-acetylphenyl)-N'-[4-(diethylamino)phenyl]oxamide
CID 108514837
2-(4-acetylpiperazin-1-yl)-N-[3-(dimethylamino)phenyl]-2-oxoacetamide
CID 108508411
2-(4-acetylpiperazin-1-yl)-N-(1,3-benzodioxol-5-yl)-2-oxoacetamide
CID 108508457
N-[4-(diethylamino)phenyl]-N'-(4-fluorophenyl)oxamide
CID 108512632
N-(4-acetamidophenyl)-N'-[4-(diethylamino)phenyl]propanediamide
CID 108956266
1-[4-[6-[4-(diethylamino)anilino]pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109346100
N-[4-(diethylamino)-2-methylphenyl]-2-(4-methylpiperidin-1-yl)-2-oxoacetamide
CID 108504667
1-[4-[2-[4-(diethylamino)anilino]-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112914934
ethyl N-[4-[(2-oxo-2-pyrrolidin-1-ylacetyl)amino]phenyl]carbamate
CID 110179174

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-[4-(diethylamino)phenyl]-2-oxoacetamide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-[4-(diethylamino)phenyl]-2-oxoacetamide (CID 108508432) is 2-(4-acetylpiperazin-1-yl)-N-[4-(diethylamino)phenyl]-2-oxoacetamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-N-[4-(diethylamino)phenyl]-2-oxoacetamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-N-[4-(diethylamino)phenyl]-2-oxoacetamide is CCN(CC)c1ccc(NC(=O)C(=O)N2CCN(C(C)=O)CC2)cc1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-N-[4-(diethylamino)phenyl]-2-oxoacetamide?
The InChIKey is MQVUCBKPNGRQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-4-20(5-2)16-8-6-15(7-9-16)19-17(24)18(25)22-12-10-21(11-13-22)14(3)23/h6-9H,4-5,10-13H2,1-3H3,(H,19,24).
What are the key properties of 2-(4-acetylpiperazin-1-yl)-N-[4-(diethylamino)phenyl]-2-oxoacetamide?
2-(4-acetylpiperazin-1-yl)-N-[4-(diethylamino)phenyl]-2-oxoacetamide has a molecular weight of 346.43 g/mol, XLogP of 1.16, 4 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-[4-(diethylamino)phenyl]-2-oxoacetamide is sourced from PubChem (CID 108508432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).