2-[4-(2-aminoethyl)piperazin-1-yl]-N-(3-methylphenyl)-2-oxoacetamide

C15H22N4O2 — CID 108515651

IUPAC2-[4-(2-aminoethyl)piperazin-1-yl]-N-(3-methylphenyl)-2-oxoacetamide
SMILESCc1cccc(NC(=O)C(=O)N2CCN(CCN)CC2)c1
InChIInChI=1S/C15H22N4O2/c1-12-3-2-4-13(11-12)17-14(20)15(21)19-9-7-18(6-5-16)8-10-19/h2-4,11H,5-10,16H2,1H3,(H,17,20)
InChIKeyMOYYMEXGBNPQEK-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.04
Rot. Bonds3

About 2-[4-(2-aminoethyl)piperazin-1-yl]-N-(3-methylphenyl)-2-oxoacetamide

2-[4-(2-aminoethyl)piperazin-1-yl]-N-(3-methylphenyl)-2-oxoacetamide (PubChem CID 108515651) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)piperazin-1-yl]-N-(3-methylphenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)piperazin-1-yl]-N-(3-methylphenyl)-2-oxoacetamide
PubChem CID108515651
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name2-[4-(2-aminoethyl)piperazin-1-yl]-N-(3-methylphenyl)-2-oxoacetamide
SMILESCc1cccc(NC(=O)C(=O)N2CCN(CCN)CC2)c1
InChIInChI=1S/C15H22N4O2/c1-12-3-2-4-13(11-12)17-14(20)15(21)19-9-7-18(6-5-16)8-10-19/h2-4,11H,5-10,16H2,1H3,(H,17,20)
InChIKeyMOYYMEXGBNPQEK-UHFFFAOYSA-N
XLogP0.04
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-(2-aminoethyl)piperazin-1-yl]-N-(3-methylphenyl)-2-oxoacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-formylpiperazin-1-yl)-N-(3-methylphenyl)-2-oxoacetamide
CID 108515716
N-(3-methylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108515725
2-[4-(2-aminoethyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)-2-oxoacetamide
CID 108515529
N-(3-bromophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide
CID 108522875
2-(4-benzhydrylpiperazin-1-yl)-N-(3-methylphenyl)-2-oxoacetamide
CID 44901949
4-[4-[(3-methylphenyl)carbamoyl]piperazin-1-yl]butanoic acid
CID 119958643
N-[3-[4-(2-aminoethyl)piperazine-1-carbonyl]phenyl]acetamide
CID 82354357
2-[4-(2-aminoethyl)piperazin-1-yl]-N-(4-nitrophenyl)-2-oxoacetamide
CID 108513115
2-(4-benzylpiperazin-1-yl)-N-(3,5-dimethylphenyl)-2-oxoacetamide
CID 44901961
N-(3-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108515042
4-(2-amino-2-hydroxyiminoethyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 77011865
2-amino-N-[2-[4-(2-aminoethyl)piperazin-1-yl]-2-oxoacetyl]benzamide
CID 108517914

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)piperazin-1-yl]-N-(3-methylphenyl)-2-oxoacetamide?
The IUPAC name of 2-[4-(2-aminoethyl)piperazin-1-yl]-N-(3-methylphenyl)-2-oxoacetamide (CID 108515651) is 2-[4-(2-aminoethyl)piperazin-1-yl]-N-(3-methylphenyl)-2-oxoacetamide.
What is the SMILES notation for 2-[4-(2-aminoethyl)piperazin-1-yl]-N-(3-methylphenyl)-2-oxoacetamide?
The canonical SMILES for 2-[4-(2-aminoethyl)piperazin-1-yl]-N-(3-methylphenyl)-2-oxoacetamide is Cc1cccc(NC(=O)C(=O)N2CCN(CCN)CC2)c1.
What is the InChIKey of 2-[4-(2-aminoethyl)piperazin-1-yl]-N-(3-methylphenyl)-2-oxoacetamide?
The InChIKey is MOYYMEXGBNPQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-12-3-2-4-13(11-12)17-14(20)15(21)19-9-7-18(6-5-16)8-10-19/h2-4,11H,5-10,16H2,1H3,(H,17,20).
What are the key properties of 2-[4-(2-aminoethyl)piperazin-1-yl]-N-(3-methylphenyl)-2-oxoacetamide?
2-[4-(2-aminoethyl)piperazin-1-yl]-N-(3-methylphenyl)-2-oxoacetamide has a molecular weight of 290.37 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethyl)piperazin-1-yl]-N-(3-methylphenyl)-2-oxoacetamide is sourced from PubChem (CID 108515651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).