2-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-2-oxoacetamide

C19H20FN3O2 — CID 44902185

IUPAC2-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-2-oxoacetamide
SMILESO=C(Nc1ccccc1F)C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H20FN3O2/c20-16-8-4-5-9-17(16)21-18(24)19(25)23-12-10-22(11-13-23)14-15-6-2-1-3-7-15/h1-9H,10-14H2,(H,21,24)
InChIKeyKJPISIPKRTUWHL-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.11
Rot. Bonds3

About 2-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-2-oxoacetamide

2-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-2-oxoacetamide (PubChem CID 44902185) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-2-oxoacetamide
PubChem CID44902185
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-2-oxoacetamide
SMILESO=C(Nc1ccccc1F)C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H20FN3O2/c20-16-8-4-5-9-17(16)21-18(24)19(25)23-12-10-22(11-13-23)14-15-6-2-1-3-7-15/h1-9H,10-14H2,(H,21,24)
InChIKeyKJPISIPKRTUWHL-UHFFFAOYSA-N
XLogP2.11
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.11
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

2-(4-benzylpiperazin-1-yl)-N-(2-chlorophenyl)-2-oxoacetamide
CID 44892193
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-fluorophenyl)-2-oxoacetamide
CID 44892087
2-(4-benzylpiperazin-1-yl)-N-(2-nitrophenyl)-2-oxoacetamide
CID 44902603
2-(4-benzylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)-2-oxoacetamide
CID 108516948
2-(4-benzylpiperazin-1-yl)-N-(3,5-dimethylphenyl)-2-oxoacetamide
CID 44901961
2-(4-benzylpiperazin-1-yl)-2-oxo-N-pyridin-2-ylacetamide
CID 44999265
N-(2-fluorophenyl)-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 17184554
2-(4-benzylpiperazin-1-yl)-N-(2,5-dimethoxyphenyl)-2-oxoacetamide
CID 44892029
2-(4-benzylpiperazin-1-yl)-N-(2-chloroethyl)-2-oxoacetamide
CID 108513856
2-(1,4-diazepan-1-yl)-N-(2-fluorophenyl)-2-oxoacetamide
CID 43327583
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421
3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 24589190

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-2-oxoacetamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-2-oxoacetamide (CID 44902185) is 2-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-2-oxoacetamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-2-oxoacetamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-2-oxoacetamide is O=C(Nc1ccccc1F)C(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-2-oxoacetamide?
The InChIKey is KJPISIPKRTUWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c20-16-8-4-5-9-17(16)21-18(24)19(25)23-12-10-22(11-13-23)14-15-6-2-1-3-7-15/h1-9H,10-14H2,(H,21,24).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-2-oxoacetamide?
2-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-2-oxoacetamide has a molecular weight of 341.39 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-2-oxoacetamide is sourced from PubChem (CID 44902185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).