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

C20H20F2N2O2 — CID 1037110

IUPAC1-[5-fluoro-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-methylphenyl]ethanone
SMILESCC(=O)c1cc(F)c(N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1C
InChIInChI=1S/C20H20F2N2O2/c1-13-11-19(18(22)12-17(13)14(2)25)23-7-9-24(10-8-23)20(26)15-3-5-16(21)6-4-15/h3-6,11-12H,7-10H2,1-2H3
InChIKeyVRMVHSNIKIMHJS-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.44
Rot. Bonds3

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

1-[5-fluoro-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-methylphenyl]ethanone (PubChem CID 1037110) has the molecular formula C20H20F2N2O2 and a molecular weight of 358.39 g/mol. Its IUPAC name is 1-[5-fluoro-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-methylphenyl]ethanone.

Molecular Properties

Compound Name1-[5-fluoro-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-methylphenyl]ethanone
PubChem CID1037110
Molecular FormulaC20H20F2N2O2
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name1-[5-fluoro-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-methylphenyl]ethanone
SMILESCC(=O)c1cc(F)c(N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1C
InChIInChI=1S/C20H20F2N2O2/c1-13-11-19(18(22)12-17(13)14(2)25)23-7-9-24(10-8-23)20(26)15-3-5-16(21)6-4-15/h3-6,11-12H,7-10H2,1-2H3
InChIKeyVRMVHSNIKIMHJS-UHFFFAOYSA-N
XLogP3.44
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-fluoro-4-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-methylphenyl]ethanone
CID 1152757
1-[4-[4-(2-bromobenzoyl)piperazin-1-yl]-5-fluoro-2-methylphenyl]ethanone
CID 5207021
1-[5-fluoro-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylphenyl]ethanone
CID 975790
1-(5-fluoro-2-methyl-4-piperidin-1-ylphenyl)ethanone
CID 775594
[4-(2-bromo-4-methylphenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 113079474
1-[5-fluoro-4-[4-(2-fluoro-4-nitrophenyl)piperazin-1-yl]-2-methylphenyl]ethanone
CID 2871886
4-[4-(4,5-difluoro-2-methylbenzoyl)piperazin-1-yl]-5-fluoro-2-methylbenzonitrile
CID 17067347
[3-fluoro-4-[4-(4-fluorobenzoyl)piperazin-1-yl]phenyl]-phenylmethanone
CID 1152760
3-fluoro-4-[4-(4-fluorobenzoyl)piperazin-1-yl]benzonitrile
CID 822324
[4-(2-fluoro-4-nitrophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 2868624
4-(4-acetyl-2,5-difluorophenyl)piperazine-1-carboxylic acid
CID 146349741
[4-(2-fluoro-5-methyl-4-nitrophenyl)piperazin-1-yl]-phenylmethanone
CID 2868038

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-methylphenyl]ethanone?
The IUPAC name of 1-[5-fluoro-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-methylphenyl]ethanone (CID 1037110) is 1-[5-fluoro-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-methylphenyl]ethanone.
What is the SMILES notation for 1-[5-fluoro-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-methylphenyl]ethanone?
The canonical SMILES for 1-[5-fluoro-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-methylphenyl]ethanone is CC(=O)c1cc(F)c(N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1C.
What is the InChIKey of 1-[5-fluoro-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-methylphenyl]ethanone?
The InChIKey is VRMVHSNIKIMHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O2/c1-13-11-19(18(22)12-17(13)14(2)25)23-7-9-24(10-8-23)20(26)15-3-5-16(21)6-4-15/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 1-[5-fluoro-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-methylphenyl]ethanone?
1-[5-fluoro-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-methylphenyl]ethanone has a molecular weight of 358.39 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-methylphenyl]ethanone is sourced from PubChem (CID 1037110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).