2-(4-benzylpiperazin-1-yl)-2-oxo-N-pyridin-2-ylacetamide

C18H20N4O2 — CID 44999265

IUPAC2-(4-benzylpiperazin-1-yl)-2-oxo-N-pyridin-2-ylacetamide
SMILESO=C(Nc1ccccn1)C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H20N4O2/c23-17(20-16-8-4-5-9-19-16)18(24)22-12-10-21(11-13-22)14-15-6-2-1-3-7-15/h1-9H,10-14H2,(H,19,20,23)
InChIKeyHJJKTZNFOZDFBQ-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.36
Rot. Bonds3

About 2-(4-benzylpiperazin-1-yl)-2-oxo-N-pyridin-2-ylacetamide

2-(4-benzylpiperazin-1-yl)-2-oxo-N-pyridin-2-ylacetamide (PubChem CID 44999265) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-2-oxo-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-2-oxo-N-pyridin-2-ylacetamide
PubChem CID44999265
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name2-(4-benzylpiperazin-1-yl)-2-oxo-N-pyridin-2-ylacetamide
SMILESO=C(Nc1ccccn1)C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H20N4O2/c23-17(20-16-8-4-5-9-19-16)18(24)22-12-10-21(11-13-22)14-15-6-2-1-3-7-15/h1-9H,10-14H2,(H,19,20,23)
InChIKeyHJJKTZNFOZDFBQ-UHFFFAOYSA-N
XLogP1.36
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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
2-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-2-oxoacetamide
CID 44902185
2-(4-benzylpiperazin-1-yl)-N-(3,5-dimethylphenyl)-2-oxoacetamide
CID 44901961
2-(4-benzylpiperazin-1-yl)-N-(4-ethoxyphenyl)-2-oxoacetamide
CID 44902030
2-(4-benzyl-1,4-diazepan-1-yl)-2-oxoacetic acid
CID 141207482
2-(4-benzylpiperazin-1-yl)-N-(2-chloroethyl)-2-oxoacetamide
CID 108513856
2-(4-benzylpiperazin-1-yl)-N-(2-nitrophenyl)-2-oxoacetamide
CID 44902603
4-[2-oxo-2-(pyridin-2-ylamino)ethyl]-N-pyridin-2-ylpiperazine-1-carboxamide
CID 166410262
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421
2-(4-benzylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)-2-oxoacetamide
CID 108516948
N-(1,3-benzodioxol-5-yl)-2-(4-benzylpiperazin-1-yl)-2-oxoacetamide
CID 44902015
2-(4-benzylpiperazin-1-yl)-N-(4-bromo-3-methylphenyl)-2-oxoacetamide
CID 108517021

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-2-oxo-N-pyridin-2-ylacetamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-2-oxo-N-pyridin-2-ylacetamide (CID 44999265) is 2-(4-benzylpiperazin-1-yl)-2-oxo-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-2-oxo-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-2-oxo-N-pyridin-2-ylacetamide is O=C(Nc1ccccn1)C(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-2-oxo-N-pyridin-2-ylacetamide?
The InChIKey is HJJKTZNFOZDFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c23-17(20-16-8-4-5-9-19-16)18(24)22-12-10-21(11-13-22)14-15-6-2-1-3-7-15/h1-9H,10-14H2,(H,19,20,23).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-2-oxo-N-pyridin-2-ylacetamide?
2-(4-benzylpiperazin-1-yl)-2-oxo-N-pyridin-2-ylacetamide has a molecular weight of 324.38 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-2-oxo-N-pyridin-2-ylacetamide is sourced from PubChem (CID 44999265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).