N-[(4-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)-2-oxoacetamide

C15H21N3O2 — CID 108517042

IUPACN-[(4-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)-2-oxoacetamide
SMILESCc1ccc(CNC(=O)C(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C15H21N3O2/c1-12-3-5-13(6-4-12)11-16-14(19)15(20)18-9-7-17(2)8-10-18/h3-6H,7-11H2,1-2H3,(H,16,19)
InChIKeyQFKPIYBIMRORIG-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.39
Rot. Bonds2

About N-[(4-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)-2-oxoacetamide

N-[(4-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)-2-oxoacetamide (PubChem CID 108517042) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)-2-oxoacetamide
PubChem CID108517042
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[(4-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)-2-oxoacetamide
SMILESCc1ccc(CNC(=O)C(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C15H21N3O2/c1-12-3-5-13(6-4-12)11-16-14(19)15(20)18-9-7-17(2)8-10-18/h3-6H,7-11H2,1-2H3,(H,16,19)
InChIKeyQFKPIYBIMRORIG-UHFFFAOYSA-N
XLogP0.39
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 108518107
N,N'-bis[(4-methylphenyl)methyl]oxamide
CID 3116969
N-[(4-methylphenyl)methyl]-2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 108984831
ethyl 4-[2-[(4-fluorophenyl)methylamino]-2-oxoacetyl]piperazine-1-carboxylate
CID 108530680
(Z)-3-[(4-methylphenyl)methylamino]-2-(4-methylpiperazine-1-carbonyl)prop-2-enenitrile
CID 108861896
2-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]-2-oxoacetamide
CID 108529654
N-benzyl-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide
CID 108508950
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide
CID 108508178
N-[(4-fluorophenyl)methyl]-N'-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 18578340
N-[(4-methylphenyl)methyl]-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
CID 108518109
N-ethyl-N'-[(4-methylphenyl)methyl]oxamide
CID 2291435
1-[(4-methylphenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 108899107

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)-2-oxoacetamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)-2-oxoacetamide (CID 108517042) is N-[(4-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)-2-oxoacetamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)-2-oxoacetamide is Cc1ccc(CNC(=O)C(=O)N2CCN(C)CC2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)-2-oxoacetamide?
The InChIKey is QFKPIYBIMRORIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-12-3-5-13(6-4-12)11-16-14(19)15(20)18-9-7-17(2)8-10-18/h3-6H,7-11H2,1-2H3,(H,16,19).
What are the key properties of N-[(4-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)-2-oxoacetamide?
N-[(4-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)-2-oxoacetamide has a molecular weight of 275.35 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 108517042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).