3-(4-fluorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methylpentan-1-one

C21H25FN2O3 — CID 110355835

IUPAC3-(4-fluorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methylpentan-1-one
SMILESCC(C)C(CC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccc(F)cc1
InChIInChI=1S/C21H25FN2O3/c1-15(2)18(16-5-7-17(22)8-6-16)14-20(25)23-9-11-24(12-10-23)21(26)19-4-3-13-27-19/h3-8,13,15,18H,9-12,14H2,1-2H3
InChIKeyQESAXNZGLVHRTD-UHFFFAOYSA-N
MW372.44 g/mol
LogP3.53
Rot. Bonds5

About 3-(4-fluorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methylpentan-1-one

3-(4-fluorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methylpentan-1-one (PubChem CID 110355835) has the molecular formula C21H25FN2O3 and a molecular weight of 372.44 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methylpentan-1-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methylpentan-1-one
PubChem CID110355835
Molecular FormulaC21H25FN2O3
Molecular Weight372.44 g/mol
Exact Mass372.18
IUPAC Name3-(4-fluorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methylpentan-1-one
SMILESCC(C)C(CC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccc(F)cc1
InChIInChI=1S/C21H25FN2O3/c1-15(2)18(16-5-7-17(22)8-6-16)14-20(25)23-9-11-24(12-10-23)21(26)19-4-3-13-27-19/h3-8,13,15,18H,9-12,14H2,1-2H3
InChIKeyQESAXNZGLVHRTD-UHFFFAOYSA-N
XLogP3.53
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-3-phenylpentan-1-one
CID 110316558
(3R)-3-(4-fluorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyrrol-1-ylpropan-1-one
CID 92709241
2-(4-fluoroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004654
N-[1-(4-fluorophenyl)ethyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 51170789
3-(4-fluorophenyl)-4-methyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-one
CID 110355854
1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(4-methylphenyl)-3-pyrrol-1-ylpropan-1-one
CID 46342737
N-(4-fluorophenyl)-N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 113126885
3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxo-N-propan-2-ylpropanamide
CID 108940840
[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-(4-propan-2-ylphenyl)methanone
CID 110798012
2-(4-fluorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylpropan-1-one
CID 113197394
furan-2-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 21026314
N-ethyl-N'-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(furan-2-carbonyl)piperazine-1-carboximidamide
CID 111168585

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methylpentan-1-one?
The IUPAC name of 3-(4-fluorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methylpentan-1-one (CID 110355835) is 3-(4-fluorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methylpentan-1-one.
What is the SMILES notation for 3-(4-fluorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methylpentan-1-one?
The canonical SMILES for 3-(4-fluorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methylpentan-1-one is CC(C)C(CC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methylpentan-1-one?
The InChIKey is QESAXNZGLVHRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O3/c1-15(2)18(16-5-7-17(22)8-6-16)14-20(25)23-9-11-24(12-10-23)21(26)19-4-3-13-27-19/h3-8,13,15,18H,9-12,14H2,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methylpentan-1-one?
3-(4-fluorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methylpentan-1-one has a molecular weight of 372.44 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methylpentan-1-one is sourced from PubChem (CID 110355835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).