2-(4-benzylpiperazin-1-yl)-N-(2,5-dimethoxyphenyl)-2-oxoacetamide

C21H25N3O4 — CID 44892029

IUPAC2-(4-benzylpiperazin-1-yl)-N-(2,5-dimethoxyphenyl)-2-oxoacetamide
SMILESCOc1ccc(OC)c(NC(=O)C(=O)N2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C21H25N3O4/c1-27-17-8-9-19(28-2)18(14-17)22-20(25)21(26)24-12-10-23(11-13-24)15-16-6-4-3-5-7-16/h3-9,14H,10-13,15H2,1-2H3,(H,22,25)
InChIKeyYBJAEQNHGBRLBZ-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.99
Rot. Bonds5

About 2-(4-benzylpiperazin-1-yl)-N-(2,5-dimethoxyphenyl)-2-oxoacetamide

2-(4-benzylpiperazin-1-yl)-N-(2,5-dimethoxyphenyl)-2-oxoacetamide (PubChem CID 44892029) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-(2,5-dimethoxyphenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-(2,5-dimethoxyphenyl)-2-oxoacetamide
PubChem CID44892029
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-(2,5-dimethoxyphenyl)-2-oxoacetamide
SMILESCOc1ccc(OC)c(NC(=O)C(=O)N2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C21H25N3O4/c1-27-17-8-9-19(28-2)18(14-17)22-20(25)21(26)24-12-10-23(11-13-24)15-16-6-4-3-5-7-16/h3-9,14H,10-13,15H2,1-2H3,(H,22,25)
InChIKeyYBJAEQNHGBRLBZ-UHFFFAOYSA-N
XLogP1.99
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-benzylpiperazin-1-yl)-N-(2-chlorophenyl)-2-oxoacetamide
CID 44892193
4-benzyl-N-[2-methoxy-5-(methylcarbamoyl)phenyl]piperazine-1-carboxamide
CID 86995002
2-(4-benzylpiperazin-1-yl)-N-(4-ethoxyphenyl)-2-oxoacetamide
CID 44902030
2-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-2-oxoacetamide
CID 44902185
N-(2,5-dimethoxyphenyl)-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 6469646
4-benzyl-N-[(2S)-1-(2,4-dimethoxyanilino)-1-oxopropan-2-yl]piperazine-1-carboxamide
CID 71829832
1-(2,5-dimethoxyphenyl)-3-[4-(pyrrolidin-1-ylmethyl)phenyl]urea
CID 17174383
2-(4-benzylpiperazin-1-yl)-N-(3,5-dimethylphenyl)-2-oxoacetamide
CID 44901961
N-(2,5-dimethoxyphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 1106324
2-[(2R)-1-[2-(4-benzylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]-N-(2,5-dimethoxyphenyl)acetamide
CID 30468436
N-(2,5-dimethoxyphenyl)-3-(morpholin-4-ylmethyl)benzamide
CID 28572616
N-(2,4-dimethoxyphenyl)-2-(4-formylpiperazin-1-yl)-2-oxoacetamide
CID 108523927

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(2,5-dimethoxyphenyl)-2-oxoacetamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(2,5-dimethoxyphenyl)-2-oxoacetamide (CID 44892029) is 2-(4-benzylpiperazin-1-yl)-N-(2,5-dimethoxyphenyl)-2-oxoacetamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-(2,5-dimethoxyphenyl)-2-oxoacetamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-(2,5-dimethoxyphenyl)-2-oxoacetamide is COc1ccc(OC)c(NC(=O)C(=O)N2CCN(Cc3ccccc3)CC2)c1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-(2,5-dimethoxyphenyl)-2-oxoacetamide?
The InChIKey is YBJAEQNHGBRLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-27-17-8-9-19(28-2)18(14-17)22-20(25)21(26)24-12-10-23(11-13-24)15-16-6-4-3-5-7-16/h3-9,14H,10-13,15H2,1-2H3,(H,22,25).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-(2,5-dimethoxyphenyl)-2-oxoacetamide?
2-(4-benzylpiperazin-1-yl)-N-(2,5-dimethoxyphenyl)-2-oxoacetamide has a molecular weight of 383.45 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-N-(2,5-dimethoxyphenyl)-2-oxoacetamide is sourced from PubChem (CID 44892029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).