2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxo-N-(pyridin-2-ylmethyl)acetamide

C19H22N4O2 — CID 108518394

IUPAC2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxo-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1cccc(N2CCN(C(=O)C(=O)NCc3ccccn3)CC2)c1
InChIInChI=1S/C19H22N4O2/c1-15-5-4-7-17(13-15)22-9-11-23(12-10-22)19(25)18(24)21-14-16-6-2-3-8-20-16/h2-8,13H,9-12,14H2,1H3,(H,21,24)
InChIKeyIJIVCFHSQOVWRQ-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.36
Rot. Bonds3

About 2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxo-N-(pyridin-2-ylmethyl)acetamide

2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxo-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 108518394) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxo-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxo-N-(pyridin-2-ylmethyl)acetamide
PubChem CID108518394
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxo-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1cccc(N2CCN(C(=O)C(=O)NCc3ccccn3)CC2)c1
InChIInChI=1S/C19H22N4O2/c1-15-5-4-7-17(13-15)22-9-11-23(12-10-22)19(25)18(24)21-14-16-6-2-3-8-20-16/h2-8,13H,9-12,14H2,1H3,(H,21,24)
InChIKeyIJIVCFHSQOVWRQ-UHFFFAOYSA-N
XLogP1.36
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
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

4-[4-(3-methylphenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212690
2-(4-methylpiperazin-1-yl)-2-oxo-N-(pyridin-2-ylmethyl)acetamide
CID 108517044
N-(2-acetamidoethyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108531247
4-(4-methylphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108394
N-(2-methoxyethyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108505043
2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxo-N-(3-phenylpropyl)acetamide
CID 108986075
4-[4-(3-methylphenyl)piperazine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 113183939
N-(3-methylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108515725
N-(2-hydroxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108514363
N-cyclopentyl-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108506027
2-methyl-1-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110968961
1-(4-acetylpiperazin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethane-1,2-dione
CID 108508453

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxo-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxo-N-(pyridin-2-ylmethyl)acetamide (CID 108518394) is 2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxo-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxo-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxo-N-(pyridin-2-ylmethyl)acetamide is Cc1cccc(N2CCN(C(=O)C(=O)NCc3ccccn3)CC2)c1.
What is the InChIKey of 2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxo-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is IJIVCFHSQOVWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-15-5-4-7-17(13-15)22-9-11-23(12-10-22)19(25)18(24)21-14-16-6-2-3-8-20-16/h2-8,13H,9-12,14H2,1H3,(H,21,24).
What are the key properties of 2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxo-N-(pyridin-2-ylmethyl)acetamide?
2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxo-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 338.41 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-(3-methylphenyl)piperazin-1-yl]-2-oxo-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 108518394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).