2-(4-formylpiperazin-1-yl)-N-(3-methylphenyl)-2-oxoacetamide

C14H17N3O3 — CID 108515716

IUPAC2-(4-formylpiperazin-1-yl)-N-(3-methylphenyl)-2-oxoacetamide
SMILESCc1cccc(NC(=O)C(=O)N2CCN(C=O)CC2)c1
InChIInChI=1S/C14H17N3O3/c1-11-3-2-4-12(9-11)15-13(19)14(20)17-7-5-16(10-18)6-8-17/h2-4,9-10H,5-8H2,1H3,(H,15,19)
InChIKeyKMJOHKZNEKNPTL-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.23
Rot. Bonds2

About 2-(4-formylpiperazin-1-yl)-N-(3-methylphenyl)-2-oxoacetamide

2-(4-formylpiperazin-1-yl)-N-(3-methylphenyl)-2-oxoacetamide (PubChem CID 108515716) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-(4-formylpiperazin-1-yl)-N-(3-methylphenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(4-formylpiperazin-1-yl)-N-(3-methylphenyl)-2-oxoacetamide
PubChem CID108515716
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-(4-formylpiperazin-1-yl)-N-(3-methylphenyl)-2-oxoacetamide
SMILESCc1cccc(NC(=O)C(=O)N2CCN(C=O)CC2)c1
InChIInChI=1S/C14H17N3O3/c1-11-3-2-4-12(9-11)15-13(19)14(20)17-7-5-16(10-18)6-8-17/h2-4,9-10H,5-8H2,1H3,(H,15,19)
InChIKeyKMJOHKZNEKNPTL-UHFFFAOYSA-N
XLogP0.23
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108515725
2-(4-benzhydrylpiperazin-1-yl)-N-(3-methylphenyl)-2-oxoacetamide
CID 44901949
1-(4-formylpiperazine-1-carbonyl)-N-(3-methylphenyl)cyclopropane-1-carboxamide
CID 108974310
2-[4-(2-aminoethyl)piperazin-1-yl]-N-(3-methylphenyl)-2-oxoacetamide
CID 108515651
2-(4-formylpiperazin-1-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 108502665
N-(3-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108515042
2-(4-formylpiperazine-1-carbonyl)-N-(3-methylphenyl)pyridine-4-carboxamide
CID 109084786
4-[5-(3-methylanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 109186970
methyl 3-[[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetyl]amino]benzoate
CID 108986079
4-[4-(3-methylphenyl)piperazine-1-carbonyl]piperazine-1-carbaldehyde
CID 108988584
4-[6-methyl-2-(3-methylanilino)pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109326469
4-benzoyl-N-(3-methylphenyl)piperazine-1-carboxamide
CID 18101727

Frequently Asked Questions

What is the IUPAC name of 2-(4-formylpiperazin-1-yl)-N-(3-methylphenyl)-2-oxoacetamide?
The IUPAC name of 2-(4-formylpiperazin-1-yl)-N-(3-methylphenyl)-2-oxoacetamide (CID 108515716) is 2-(4-formylpiperazin-1-yl)-N-(3-methylphenyl)-2-oxoacetamide.
What is the SMILES notation for 2-(4-formylpiperazin-1-yl)-N-(3-methylphenyl)-2-oxoacetamide?
The canonical SMILES for 2-(4-formylpiperazin-1-yl)-N-(3-methylphenyl)-2-oxoacetamide is Cc1cccc(NC(=O)C(=O)N2CCN(C=O)CC2)c1.
What is the InChIKey of 2-(4-formylpiperazin-1-yl)-N-(3-methylphenyl)-2-oxoacetamide?
The InChIKey is KMJOHKZNEKNPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-11-3-2-4-12(9-11)15-13(19)14(20)17-7-5-16(10-18)6-8-17/h2-4,9-10H,5-8H2,1H3,(H,15,19).
What are the key properties of 2-(4-formylpiperazin-1-yl)-N-(3-methylphenyl)-2-oxoacetamide?
2-(4-formylpiperazin-1-yl)-N-(3-methylphenyl)-2-oxoacetamide has a molecular weight of 275.31 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formylpiperazin-1-yl)-N-(3-methylphenyl)-2-oxoacetamide is sourced from PubChem (CID 108515716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).