1-[5-fluoro-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylphenyl]ethanone

C18H19FN2O3 — CID 975790

IUPAC1-[5-fluoro-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylphenyl]ethanone
SMILESCC(=O)c1cc(F)c(N2CCN(C(=O)c3ccco3)CC2)cc1C
InChIInChI=1S/C18H19FN2O3/c1-12-10-16(15(19)11-14(12)13(2)22)20-5-7-21(8-6-20)18(23)17-4-3-9-24-17/h3-4,9-11H,5-8H2,1-2H3
InChIKeyGYZILCDSSLXKTB-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.89
Rot. Bonds3

About 1-[5-fluoro-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylphenyl]ethanone

1-[5-fluoro-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylphenyl]ethanone (PubChem CID 975790) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is 1-[5-fluoro-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylphenyl]ethanone.

Molecular Properties

Compound Name1-[5-fluoro-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylphenyl]ethanone
PubChem CID975790
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name1-[5-fluoro-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylphenyl]ethanone
SMILESCC(=O)c1cc(F)c(N2CCN(C(=O)c3ccco3)CC2)cc1C
InChIInChI=1S/C18H19FN2O3/c1-12-10-16(15(19)11-14(12)13(2)22)20-5-7-21(8-6-20)18(23)17-4-3-9-24-17/h3-4,9-11H,5-8H2,1-2H3
InChIKeyGYZILCDSSLXKTB-UHFFFAOYSA-N
XLogP2.89
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-fluoro-4-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-methylphenyl]ethanone
CID 1152757
1-[5-fluoro-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-methylphenyl]ethanone
CID 1037110
1-[4-[4-(2-bromobenzoyl)piperazin-1-yl]-5-fluoro-2-methylphenyl]ethanone
CID 5207021
1-(5-fluoro-2-methyl-4-piperidin-1-ylphenyl)ethanone
CID 775594
[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 3433092
[4-[5-(4-ethylpiperazin-1-yl)-4-fluoro-2-nitrophenyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 2948583
[4-(2,5-dimethylbenzoyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 38911085
(2-fluoro-4-methoxyphenyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 38910645
[4-(2,3-dichlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 113080480
N-[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]furan-2-carboxamide
CID 3161475
[4-(6-amino-5-methyl-3-pyridinyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 83970287
N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 42671906

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylphenyl]ethanone?
The IUPAC name of 1-[5-fluoro-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylphenyl]ethanone (CID 975790) is 1-[5-fluoro-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylphenyl]ethanone.
What is the SMILES notation for 1-[5-fluoro-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylphenyl]ethanone?
The canonical SMILES for 1-[5-fluoro-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylphenyl]ethanone is CC(=O)c1cc(F)c(N2CCN(C(=O)c3ccco3)CC2)cc1C.
What is the InChIKey of 1-[5-fluoro-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylphenyl]ethanone?
The InChIKey is GYZILCDSSLXKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-12-10-16(15(19)11-14(12)13(2)22)20-5-7-21(8-6-20)18(23)17-4-3-9-24-17/h3-4,9-11H,5-8H2,1-2H3.
What are the key properties of 1-[5-fluoro-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylphenyl]ethanone?
1-[5-fluoro-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylphenyl]ethanone has a molecular weight of 330.36 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylphenyl]ethanone is sourced from PubChem (CID 975790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).