N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-phenylacetamide

C20H20ClN3O3 — CID 113097807

IUPACN-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-phenylacetamide
SMILESO=C(NCC(=O)N1CCN(c2cccc(Cl)c2)CC1)C(=O)c1ccccc1
InChIInChI=1S/C20H20ClN3O3/c21-16-7-4-8-17(13-16)23-9-11-24(12-10-23)18(25)14-22-20(27)19(26)15-5-2-1-3-6-15/h1-8,13H,9-12,14H2,(H,22,27)
InChIKeyJHTZBQXWRCOXNT-UHFFFAOYSA-N
MW385.85 g/mol
LogP1.99
Rot. Bonds5

About N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-phenylacetamide

N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-phenylacetamide (PubChem CID 113097807) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-phenylacetamide
PubChem CID113097807
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC NameN-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-phenylacetamide
SMILESO=C(NCC(=O)N1CCN(c2cccc(Cl)c2)CC1)C(=O)c1ccccc1
InChIInChI=1S/C20H20ClN3O3/c21-16-7-4-8-17(13-16)23-9-11-24(12-10-23)18(25)14-22-20(27)19(26)15-5-2-1-3-6-15/h1-8,13H,9-12,14H2,(H,22,27)
InChIKeyJHTZBQXWRCOXNT-UHFFFAOYSA-N
XLogP1.99
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-phenylacetamide 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-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methylpropanamide
CID 51108233
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methylbutanamide
CID 112994499
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-(oxolan-2-yl)acetamide
CID 113097802
1-[4-(3-chlorophenyl)piperazin-1-yl]-5-phenylpentane-1,5-dione
CID 20969074
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methyl-3-(methylamino)propanamide
CID 119874775
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941987
3-amino-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]butanamide;dihydrochloride
CID 119874784
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(4-fluorophenyl)acetamide
CID 112994503
(E)-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-4-(dimethylamino)but-2-enamide
CID 166404770
1-(4-acetylpiperazin-1-yl)-3-[4-(3-chlorophenyl)piperazin-1-yl]propane-1,3-dione
CID 108944892
4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutanoic acid
CID 851796
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-phenyl-2-pyrazol-1-ylacetamide
CID 56503793

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-phenylacetamide?
The IUPAC name of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-phenylacetamide (CID 113097807) is N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-phenylacetamide.
What is the SMILES notation for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-phenylacetamide?
The canonical SMILES for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-phenylacetamide is O=C(NCC(=O)N1CCN(c2cccc(Cl)c2)CC1)C(=O)c1ccccc1.
What is the InChIKey of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-phenylacetamide?
The InChIKey is JHTZBQXWRCOXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3/c21-16-7-4-8-17(13-16)23-9-11-24(12-10-23)18(25)14-22-20(27)19(26)15-5-2-1-3-6-15/h1-8,13H,9-12,14H2,(H,22,27).
What are the key properties of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-phenylacetamide?
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-phenylacetamide has a molecular weight of 385.85 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-phenylacetamide is sourced from PubChem (CID 113097807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).