2-(4-fluoroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone

C17H18FN3O3 — CID 109004654

IUPAC2-(4-fluoroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(CNc1ccc(F)cc1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C17H18FN3O3/c18-13-3-5-14(6-4-13)19-12-16(22)20-7-9-21(10-8-20)17(23)15-2-1-11-24-15/h1-6,11,19H,7-10,12H2
InChIKeyXUYVMGDSIMVMCG-UHFFFAOYSA-N
MW331.35 g/mol
LogP1.82
Rot. Bonds4

About 2-(4-fluoroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone

2-(4-fluoroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 109004654) has the molecular formula C17H18FN3O3 and a molecular weight of 331.35 g/mol. Its IUPAC name is 2-(4-fluoroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluoroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID109004654
Molecular FormulaC17H18FN3O3
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC Name2-(4-fluoroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(CNc1ccc(F)cc1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C17H18FN3O3/c18-13-3-5-14(6-4-13)19-12-16(22)20-7-9-21(10-8-20)17(23)15-2-1-11-24-15/h1-6,11,19H,7-10,12H2
InChIKeyXUYVMGDSIMVMCG-UHFFFAOYSA-N
XLogP1.82
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-fluoroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone 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

2-(3-fluoroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004693
2-(3-chloro-4-fluoroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004662
2-(3,4-dichloroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004702
2-(3-chloroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004656
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 6461144
3-(4-fluorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methylpentan-1-one
CID 110355835
2-(2,6-diethylanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004649
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 112994595
2-[2,6-di(propan-2-yl)anilino]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004698
(3R)-3-(4-fluorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyrrol-1-ylpropan-1-one
CID 92709241
3-(2,4-difluoroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 109030134
2-(4-fluorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylpropan-1-one
CID 113197394

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-fluoroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone (CID 109004654) is 2-(4-fluoroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-fluoroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-fluoroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone is O=C(CNc1ccc(F)cc1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 2-(4-fluoroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is XUYVMGDSIMVMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3/c18-13-3-5-14(6-4-13)19-12-16(22)20-7-9-21(10-8-20)17(23)15-2-1-11-24-15/h1-6,11,19H,7-10,12H2.
What are the key properties of 2-(4-fluoroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
2-(4-fluoroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 331.35 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 109004654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).