2-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]-2-oxoacetamide

C15H20FN3O2 — CID 108529654

IUPAC2-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]-2-oxoacetamide
SMILESCCN1CCN(C(=O)C(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C15H20FN3O2/c1-2-18-7-9-19(10-8-18)15(21)14(20)17-11-12-3-5-13(16)6-4-12/h3-6H,2,7-11H2,1H3,(H,17,20)
InChIKeyOBSHAKLYTWNYEV-UHFFFAOYSA-N
MW293.34 g/mol
LogP0.61
Rot. Bonds3

About 2-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]-2-oxoacetamide

2-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]-2-oxoacetamide (PubChem CID 108529654) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]-2-oxoacetamide
PubChem CID108529654
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC Name2-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]-2-oxoacetamide
SMILESCCN1CCN(C(=O)C(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C15H20FN3O2/c1-2-18-7-9-19(10-8-18)15(21)14(20)17-11-12-3-5-13(16)6-4-12/h3-6H,2,7-11H2,1H3,(H,17,20)
InChIKeyOBSHAKLYTWNYEV-UHFFFAOYSA-N
XLogP0.61
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 50.61
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-benzyl-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide
CID 108508950
ethyl 4-[2-[(4-fluorophenyl)methylamino]-2-oxoacetyl]piperazine-1-carboxylate
CID 108530680
3-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]-2,2-dimethyl-3-oxopropanamide
CID 108960862
N-[(4-fluorophenyl)methyl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 108523035
6-(4-ethylpiperazine-1-carbonyl)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109096789
N-(2,5-difluorophenyl)-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide
CID 108529715
N-ethyl-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide
CID 108521458
N-[(4-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)-2-oxoacetamide
CID 108517042
N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 51172066
N'-[(2R)-2-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethyl]-N-[(4-fluorophenyl)methyl]oxamide
CID 7087516
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide
CID 108508178
(4-ethylpiperazin-1-yl)-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]methanone
CID 109186613

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]-2-oxoacetamide?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]-2-oxoacetamide (CID 108529654) is 2-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]-2-oxoacetamide.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]-2-oxoacetamide?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]-2-oxoacetamide is CCN1CCN(C(=O)C(=O)NCc2ccc(F)cc2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]-2-oxoacetamide?
The InChIKey is OBSHAKLYTWNYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2/c1-2-18-7-9-19(10-8-18)15(21)14(20)17-11-12-3-5-13(16)6-4-12/h3-6H,2,7-11H2,1H3,(H,17,20).
What are the key properties of 2-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]-2-oxoacetamide?
2-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]-2-oxoacetamide has a molecular weight of 293.34 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]-2-oxoacetamide is sourced from PubChem (CID 108529654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).