2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone

C19H18F2N2O2 — CID 110358942

IUPAC2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
SMILESO=C(CN1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C19H18F2N2O2/c20-16-5-1-14(2-6-16)18(24)13-22-9-11-23(12-10-22)19(25)15-3-7-17(21)8-4-15/h1-8H,9-13H2
InChIKeyGEAYXEREYZOFKG-UHFFFAOYSA-N
MW344.36 g/mol
LogP2.61
Rot. Bonds4

About 2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone

2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone (PubChem CID 110358942) has the molecular formula C19H18F2N2O2 and a molecular weight of 344.36 g/mol. Its IUPAC name is 2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
PubChem CID110358942
Molecular FormulaC19H18F2N2O2
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC Name2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
SMILESO=C(CN1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C19H18F2N2O2/c20-16-5-1-14(2-6-16)18(24)13-22-9-11-23(12-10-22)19(25)15-3-7-17(21)8-4-15/h1-8H,9-13H2
InChIKeyGEAYXEREYZOFKG-UHFFFAOYSA-N
XLogP2.61
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-phenylethanone
CID 110366210
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone
CID 4651067
2-(4-benzoylpiperazin-1-yl)-1-phenylethanone
CID 3599210
(4-fluorophenyl)-[4-(2-methylprop-2-enyl)piperazin-1-yl]methanone
CID 47002075
1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 3461738
methyl 2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetate
CID 60732940
2-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]acetic acid
CID 62824800
4-[2-(4-fluorophenyl)-2-oxoethyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110358984
1-[4-(4-fluorobenzoyl)piperazin-1-yl]-3,3-dimethylbutan-2-one
CID 110709736
1-(4-fluorophenyl)-2-pyrrolidin-1-ylethanone;hydrochloride
CID 13302047
1-(4-fluorophenyl)-2-piperazin-1-ylethanone
CID 16769083
2-[4-(bicyclo[3.2.0]hepta-1(5),6-diene-6-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
CID 90191810

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone?
The IUPAC name of 2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone (CID 110358942) is 2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone.
What is the SMILES notation for 2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone?
The canonical SMILES for 2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone is O=C(CN1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccc(F)cc1.
What is the InChIKey of 2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone?
The InChIKey is GEAYXEREYZOFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O2/c20-16-5-1-14(2-6-16)18(24)13-22-9-11-23(12-10-22)19(25)15-3-7-17(21)8-4-15/h1-8H,9-13H2.
What are the key properties of 2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone?
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone has a molecular weight of 344.36 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone is sourced from PubChem (CID 110358942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).