2-(4-fluorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylpropan-1-one

C19H21FN2O3 — CID 113197394

IUPAC2-(4-fluorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylpropan-1-one
SMILESCC(C)(C(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccc(F)cc1
InChIInChI=1S/C19H21FN2O3/c1-19(2,14-5-7-15(20)8-6-14)18(24)22-11-9-21(10-12-22)17(23)16-4-3-13-25-16/h3-8,13H,9-12H2,1-2H3
InChIKeyCPZIQLBTJSIVNI-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.68
Rot. Bonds3

About 2-(4-fluorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylpropan-1-one

2-(4-fluorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylpropan-1-one (PubChem CID 113197394) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylpropan-1-one
PubChem CID113197394
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name2-(4-fluorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylpropan-1-one
SMILESCC(C)(C(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccc(F)cc1
InChIInChI=1S/C19H21FN2O3/c1-19(2,14-5-7-15(20)8-6-14)18(24)22-11-9-21(10-12-22)17(23)16-4-3-13-25-16/h3-8,13H,9-12H2,1-2H3
InChIKeyCPZIQLBTJSIVNI-UHFFFAOYSA-N
XLogP2.68
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(furan-2-carbonyl)piperazin-1-yl]-2,2-dimethyl-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958407
2-(4-fluorophenyl)-1-(furan-2-yl)-2-methylpropan-1-one
CID 64757945
2-(4-fluoroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004654
1-(4-ethylpiperazin-1-yl)-2-(4-fluorophenyl)-2-methylpropan-1-one
CID 113197344
tert-butyl 4-(furan-2-carbonyl)piperazine-1-carboxylate
CID 2980350
3-(4-fluorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methylpentan-1-one
CID 110355835
N-(4-tert-butylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
CID 108529847
N-[(4-fluorophenyl)methyl]-3-[1-(furan-2-carbonyl)piperidin-4-yl]propanamide
CID 24817713
azepan-1-yl(furan-2-yl)methanone
CID 5200992
3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-2,2-dimethyl-3-oxopropanamide
CID 108961363
[4-[(1-tert-butyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 23800707
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110796817

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 2-(4-fluorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylpropan-1-one (CID 113197394) is 2-(4-fluorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 2-(4-fluorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylpropan-1-one is CC(C)(C(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylpropan-1-one?
The InChIKey is CPZIQLBTJSIVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-19(2,14-5-7-15(20)8-6-14)18(24)22-11-9-21(10-12-22)17(23)16-4-3-13-25-16/h3-8,13H,9-12H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylpropan-1-one?
2-(4-fluorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylpropan-1-one has a molecular weight of 344.39 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 113197394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).