2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-formamidopropyl)-2-oxoacetamide

C16H21FN4O3 — CID 108514136

IUPAC2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-formamidopropyl)-2-oxoacetamide
SMILESO=CNCCCNC(=O)C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H21FN4O3/c17-13-2-4-14(5-3-13)20-8-10-21(11-9-20)16(24)15(23)19-7-1-6-18-12-22/h2-5,12H,1,6-11H2,(H,18,22)(H,19,23)
InChIKeyJCJWMYSGXXHDMN-UHFFFAOYSA-N
MW336.37 g/mol
LogP-0.27
Rot. Bonds6

About 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-formamidopropyl)-2-oxoacetamide

2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-formamidopropyl)-2-oxoacetamide (PubChem CID 108514136) has the molecular formula C16H21FN4O3 and a molecular weight of 336.37 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-formamidopropyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-formamidopropyl)-2-oxoacetamide
PubChem CID108514136
Molecular FormulaC16H21FN4O3
Molecular Weight336.37 g/mol
Exact Mass336.16
IUPAC Name2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-formamidopropyl)-2-oxoacetamide
SMILESO=CNCCCNC(=O)C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H21FN4O3/c17-13-2-4-14(5-3-13)20-8-10-21(11-9-20)16(24)15(23)19-7-1-6-18-12-22/h2-5,12H,1,6-11H2,(H,18,22)(H,19,23)
InChIKeyJCJWMYSGXXHDMN-UHFFFAOYSA-N
XLogP-0.27
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-formamidopropyl)-2-oxoacetamide 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-acetamidoethyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoacetamide
CID 108514164
2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-N-(3-phenylpropyl)acetamide
CID 108985750
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-morpholin-4-ylpropyl)-2-oxoacetamide
CID 108514068
N-(3-formamidopropyl)-2-(4-formylpiperazin-1-yl)-2-oxoacetamide
CID 108528818
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoacetamide
CID 108984156
1-(4-acetylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethane-1,2-dione
CID 108508298
4-(4-fluorophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 84526356
N'-cyclopropyl-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]oxamide
CID 42390559
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-N'-(2-morpholin-4-ylethyl)oxamide
CID 29401175
4-fluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9081763
(Z)-3-(2-chloroethylamino)-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]prop-2-enenitrile
CID 108854831
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-4-(methylamino)butanamide
CID 119858786

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-formamidopropyl)-2-oxoacetamide?
The IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-formamidopropyl)-2-oxoacetamide (CID 108514136) is 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-formamidopropyl)-2-oxoacetamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-formamidopropyl)-2-oxoacetamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-formamidopropyl)-2-oxoacetamide is O=CNCCCNC(=O)C(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-formamidopropyl)-2-oxoacetamide?
The InChIKey is JCJWMYSGXXHDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O3/c17-13-2-4-14(5-3-13)20-8-10-21(11-9-20)16(24)15(23)19-7-1-6-18-12-22/h2-5,12H,1,6-11H2,(H,18,22)(H,19,23).
What are the key properties of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-formamidopropyl)-2-oxoacetamide?
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-formamidopropyl)-2-oxoacetamide has a molecular weight of 336.37 g/mol, XLogP of -0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-formamidopropyl)-2-oxoacetamide is sourced from PubChem (CID 108514136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).