2-(4-benzylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)-2-oxoacetamide

C23H28N4O3 — CID 108516948

IUPAC2-(4-benzylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)-2-oxoacetamide
SMILESO=C(Nc1ccccc1N1CCOCC1)C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H28N4O3/c28-22(24-20-8-4-5-9-21(20)26-14-16-30-17-15-26)23(29)27-12-10-25(11-13-27)18-19-6-2-1-3-7-19/h1-9H,10-18H2,(H,24,28)
InChIKeyCLODRVXVHGJMIP-UHFFFAOYSA-N
MW408.50 g/mol
LogP1.81
Rot. Bonds4

About 2-(4-benzylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)-2-oxoacetamide

2-(4-benzylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)-2-oxoacetamide (PubChem CID 108516948) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)-2-oxoacetamide
PubChem CID108516948
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)-2-oxoacetamide
SMILESO=C(Nc1ccccc1N1CCOCC1)C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H28N4O3/c28-22(24-20-8-4-5-9-21(20)26-14-16-30-17-15-26)23(29)27-12-10-25(11-13-27)18-19-6-2-1-3-7-19/h1-9H,10-18H2,(H,24,28)
InChIKeyCLODRVXVHGJMIP-UHFFFAOYSA-N
XLogP1.81
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 51.81
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-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)-2-oxoacetamide
CID 108517102
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-morpholin-4-ylphenyl)-2-oxoacetamide
CID 108527539
2-(4-benzylpiperazin-1-yl)-N-(2-chlorophenyl)-2-oxoacetamide
CID 44892193
2-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-2-oxoacetamide
CID 44902185
2-(4-benzylpiperazin-1-yl)-N-(2-nitrophenyl)-2-oxoacetamide
CID 44902603
N-[(4-chlorophenyl)methyl]-N'-(2-morpholin-4-ylphenyl)oxamide
CID 108507752
N-(1,3-benzodioxol-5-yl)-2-(4-benzylpiperazin-1-yl)-2-oxoacetamide
CID 44902015
N-(2-morpholin-4-ylphenyl)-4-pentylpiperazine-1-carboxamide
CID 113110823
1-benzyl-N-(2-morpholin-4-ylphenyl)-6-oxopyridazine-3-carboxamide
CID 51157406
N'-methyl-N-(2-morpholin-4-ylphenyl)-N'-phenyloxamide
CID 108520938
2-(4-benzylpiperazin-1-yl)-2-oxo-N-pyridin-2-ylacetamide
CID 44999265
2-(4-benzylpiperazin-1-yl)-N-(3,5-dimethylphenyl)-2-oxoacetamide
CID 44901961

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)-2-oxoacetamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)-2-oxoacetamide (CID 108516948) is 2-(4-benzylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)-2-oxoacetamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)-2-oxoacetamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)-2-oxoacetamide is O=C(Nc1ccccc1N1CCOCC1)C(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)-2-oxoacetamide?
The InChIKey is CLODRVXVHGJMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c28-22(24-20-8-4-5-9-21(20)26-14-16-30-17-15-26)23(29)27-12-10-25(11-13-27)18-19-6-2-1-3-7-19/h1-9H,10-18H2,(H,24,28).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)-2-oxoacetamide?
2-(4-benzylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)-2-oxoacetamide has a molecular weight of 408.50 g/mol, XLogP of 1.81, 4 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-morpholin-4-ylphenyl)-2-oxoacetamide is sourced from PubChem (CID 108516948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).