2-[4-(2-aminoethyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)-2-oxoacetamide

C16H24N4O3 — CID 108515529

IUPAC2-[4-(2-aminoethyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)-2-oxoacetamide
SMILESCOc1ccc(C)cc1NC(=O)C(=O)N1CCN(CCN)CC1
InChIInChI=1S/C16H24N4O3/c1-12-3-4-14(23-2)13(11-12)18-15(21)16(22)20-9-7-19(6-5-17)8-10-20/h3-4,11H,5-10,17H2,1-2H3,(H,18,21)
InChIKeyRPMJNWRRLRHLJN-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.05
Rot. Bonds4

About 2-[4-(2-aminoethyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)-2-oxoacetamide

2-[4-(2-aminoethyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)-2-oxoacetamide (PubChem CID 108515529) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)-2-oxoacetamide
PubChem CID108515529
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name2-[4-(2-aminoethyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)-2-oxoacetamide
SMILESCOc1ccc(C)cc1NC(=O)C(=O)N1CCN(CCN)CC1
InChIInChI=1S/C16H24N4O3/c1-12-3-4-14(23-2)13(11-12)18-15(21)16(22)20-9-7-19(6-5-17)8-10-20/h3-4,11H,5-10,17H2,1-2H3,(H,18,21)
InChIKeyRPMJNWRRLRHLJN-UHFFFAOYSA-N
XLogP0.05
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2-methoxy-5-nitrophenyl)-2-oxoacetamide
CID 108522934
4-[2-(2-fluorophenyl)ethyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 113108977
4-[2-(4-fluorophenyl)ethyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 113109129
ethyl 1-[2-(2-methoxy-5-methylanilino)-2-oxoacetyl]piperidine-3-carboxylate
CID 108515542
N-(2-methoxy-5-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 6465919
2-(4-benzylpiperazin-1-yl)-N-(2,5-dimethoxyphenyl)-2-oxoacetamide
CID 44892029
N'-(2-methoxy-5-methylphenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 42268804
4-[2-(cyclohexen-1-yl)ethyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 113104742
ethyl 4-[2-(2,5-dimethylanilino)-2-oxoacetyl]piperazine-1-carboxylate
CID 108531030
N-(2-methoxy-5-methylphenyl)-3-piperazin-1-ylpropanamide
CID 28807979
N-(5-chloro-2-methoxyphenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 28507464
4-(2-aminoethyl)-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide
CID 43252394

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)-2-oxoacetamide?
The IUPAC name of 2-[4-(2-aminoethyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)-2-oxoacetamide (CID 108515529) is 2-[4-(2-aminoethyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)-2-oxoacetamide.
What is the SMILES notation for 2-[4-(2-aminoethyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)-2-oxoacetamide?
The canonical SMILES for 2-[4-(2-aminoethyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)-2-oxoacetamide is COc1ccc(C)cc1NC(=O)C(=O)N1CCN(CCN)CC1.
What is the InChIKey of 2-[4-(2-aminoethyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)-2-oxoacetamide?
The InChIKey is RPMJNWRRLRHLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-12-3-4-14(23-2)13(11-12)18-15(21)16(22)20-9-7-19(6-5-17)8-10-20/h3-4,11H,5-10,17H2,1-2H3,(H,18,21).
What are the key properties of 2-[4-(2-aminoethyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)-2-oxoacetamide?
2-[4-(2-aminoethyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)-2-oxoacetamide has a molecular weight of 320.39 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)-2-oxoacetamide is sourced from PubChem (CID 108515529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).