N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide

C21H24FN3O3 — CID 108530710

IUPACN-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
SMILESCOc1ccccc1N1CCN(C(=O)C(=O)NCCc2ccc(F)cc2)CC1
InChIInChI=1S/C21H24FN3O3/c1-28-19-5-3-2-4-18(19)24-12-14-25(15-13-24)21(27)20(26)23-11-10-16-6-8-17(22)9-7-16/h2-9H,10-15H2,1H3,(H,23,26)
InChIKeyQWXLCSVMCSWRBM-UHFFFAOYSA-N
MW385.44 g/mol
LogP1.84
Rot. Bonds5

About N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide

N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide (PubChem CID 108530710) has the molecular formula C21H24FN3O3 and a molecular weight of 385.44 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
PubChem CID108530710
Molecular FormulaC21H24FN3O3
Molecular Weight385.44 g/mol
Exact Mass385.18
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
SMILESCOc1ccccc1N1CCN(C(=O)C(=O)NCCc2ccc(F)cc2)CC1
InChIInChI=1S/C21H24FN3O3/c1-28-19-5-3-2-4-18(19)24-12-14-25(15-13-24)21(27)20(26)23-11-10-16-6-8-17(22)9-7-16/h2-9H,10-15H2,1H3,(H,23,26)
InChIKeyQWXLCSVMCSWRBM-UHFFFAOYSA-N
XLogP1.84
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108506291
N-(3-chloropropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108513767
N-[2-(1H-indol-3-yl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108530712
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)-2-oxoacetamide
CID 108517573
N-[2-(4-fluorophenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113109204
4-[2-[[2-[4-(2-tert-butylphenyl)piperazin-1-yl]-2-oxoacetyl]amino]ethyl]benzoic acid
CID 66792743
N-[(4-fluorophenyl)methyl]-4-(2-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide
CID 111133655
4-(2-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111133316
4-(2-cyanophenyl)-N-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113109233
4-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9335318
N-[2-(4-chlorophenyl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 8687762
2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-N-(3-phenylpropyl)acetamide
CID 108985750

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide (CID 108530710) is N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide is COc1ccccc1N1CCN(C(=O)C(=O)NCCc2ccc(F)cc2)CC1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide?
The InChIKey is QWXLCSVMCSWRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O3/c1-28-19-5-3-2-4-18(19)24-12-14-25(15-13-24)21(27)20(26)23-11-10-16-6-8-17(22)9-7-16/h2-9H,10-15H2,1H3,(H,23,26).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide?
N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide has a molecular weight of 385.44 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 108530710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).