N-[2-(2-fluorophenyl)ethyl]-2-(4-formylpiperazin-1-yl)acetamide

C15H20FN3O2 — CID 108995730

IUPACN-[2-(2-fluorophenyl)ethyl]-2-(4-formylpiperazin-1-yl)acetamide
SMILESO=CN1CCN(CC(=O)NCCc2ccccc2F)CC1
InChIInChI=1S/C15H20FN3O2/c16-14-4-2-1-3-13(14)5-6-17-15(21)11-18-7-9-19(12-20)10-8-18/h1-4,12H,5-11H2,(H,17,21)
InChIKeyJOKMJFZMCYVVFE-UHFFFAOYSA-N
MW293.34 g/mol
LogP0.26
Rot. Bonds6

About N-[2-(2-fluorophenyl)ethyl]-2-(4-formylpiperazin-1-yl)acetamide

N-[2-(2-fluorophenyl)ethyl]-2-(4-formylpiperazin-1-yl)acetamide (PubChem CID 108995730) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-2-(4-formylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-2-(4-formylpiperazin-1-yl)acetamide
PubChem CID108995730
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-2-(4-formylpiperazin-1-yl)acetamide
SMILESO=CN1CCN(CC(=O)NCCc2ccccc2F)CC1
InChIInChI=1S/C15H20FN3O2/c16-14-4-2-1-3-13(14)5-6-17-15(21)11-18-7-9-19(12-20)10-8-18/h1-4,12H,5-11H2,(H,17,21)
InChIKeyJOKMJFZMCYVVFE-UHFFFAOYSA-N
XLogP0.26
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(2-fluorophenyl)ethyl]-2-(4-formylpiperazin-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-fluorophenyl)ethyl]-2-piperazin-1-ylacetamide
CID 28505813
N-[2-(2-fluorophenyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8595807
N-[(2-fluorophenyl)methyl]-2-[4-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-1,4-diazepan-1-yl]acetamide
CID 31313746
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
N-[2-(2-fluorophenyl)ethyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 110686511
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 24534438
N-[2-(2-fluorophenyl)ethyl]propanamide
CID 22380876
N-butyl-2-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]acetamide
CID 43020083
N-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 78990913
N-[(2-fluorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 26553275
2-(2-fluorophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 112991834
N-(2,6-diethylphenyl)-2-(4-formylpiperazin-1-yl)acetamide
CID 108995795

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-(4-formylpiperazin-1-yl)acetamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-(4-formylpiperazin-1-yl)acetamide (CID 108995730) is N-[2-(2-fluorophenyl)ethyl]-2-(4-formylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-2-(4-formylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-2-(4-formylpiperazin-1-yl)acetamide is O=CN1CCN(CC(=O)NCCc2ccccc2F)CC1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-2-(4-formylpiperazin-1-yl)acetamide?
The InChIKey is JOKMJFZMCYVVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2/c16-14-4-2-1-3-13(14)5-6-17-15(21)11-18-7-9-19(12-20)10-8-18/h1-4,12H,5-11H2,(H,17,21).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-2-(4-formylpiperazin-1-yl)acetamide?
N-[2-(2-fluorophenyl)ethyl]-2-(4-formylpiperazin-1-yl)acetamide has a molecular weight of 293.34 g/mol, XLogP of 0.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-2-(4-formylpiperazin-1-yl)acetamide is sourced from PubChem (CID 108995730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).