2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide

C20H23N3O3 — CID 108986682

IUPAC2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide
SMILESCOc1ccc(N2CCN(C(=O)C(=O)N(C)c3ccccc3)CC2)cc1
InChIInChI=1S/C20H23N3O3/c1-21(16-6-4-3-5-7-16)19(24)20(25)23-14-12-22(13-15-23)17-8-10-18(26-2)11-9-17/h3-11H,12-15H2,1-2H3
InChIKeyNCWZLPPSXRHVIJ-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.01
Rot. Bonds3

About 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide

2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide (PubChem CID 108986682) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide
PubChem CID108986682
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide
SMILESCOc1ccc(N2CCN(C(=O)C(=O)N(C)c3ccccc3)CC2)cc1
InChIInChI=1S/C20H23N3O3/c1-21(16-6-4-3-5-7-16)19(24)20(25)23-14-12-22(13-15-23)17-8-10-18(26-2)11-9-17/h3-11H,12-15H2,1-2H3
InChIKeyNCWZLPPSXRHVIJ-UHFFFAOYSA-N
XLogP2.01
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide
CID 108520976
N-methyl-2-(4-methylpiperazin-1-yl)-2-oxo-N-phenylacetamide
CID 47336148
N,N-diethyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 2197299
N-methyl-N,4-diphenylpiperazine-1-carboxamide
CID 890140
N-ethyl-2-oxo-N-phenyl-2-(4-phenylpiperazin-1-yl)acetamide
CID 108518692
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N,N-diphenylacetamide
CID 3040739
[4-(4-methoxyphenyl)piperazin-1-yl] N,N-diphenylcarbamate
CID 175266285
2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylethanone
CID 863811
3-[benzyl(methyl)amino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 109020605
2-hydroxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylethanone
CID 110879916
3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
CID 55334117
3-(2-chlorophenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylprop-2-en-1-one
CID 1321834

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide?
The IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide (CID 108986682) is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide?
The canonical SMILES for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide is COc1ccc(N2CCN(C(=O)C(=O)N(C)c3ccccc3)CC2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide?
The InChIKey is NCWZLPPSXRHVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-21(16-6-4-3-5-7-16)19(24)20(25)23-14-12-22(13-15-23)17-8-10-18(26-2)11-9-17/h3-11H,12-15H2,1-2H3.
What are the key properties of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide?
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide has a molecular weight of 353.42 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide is sourced from PubChem (CID 108986682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).