2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-phenylethanone

C19H19FN2O2 — CID 110366210

IUPAC2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-phenylethanone
SMILESO=C(CN1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C19H19FN2O2/c20-17-8-6-16(7-9-17)19(24)22-12-10-21(11-13-22)14-18(23)15-4-2-1-3-5-15/h1-9H,10-14H2
InChIKeyKJOAWUYNQRVEQX-UHFFFAOYSA-N
MW326.37 g/mol
LogP2.47
Rot. Bonds4

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

2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-phenylethanone (PubChem CID 110366210) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is 2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-phenylethanone.

Molecular Properties

Compound Name2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-phenylethanone
PubChem CID110366210
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-phenylethanone
SMILESO=C(CN1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C19H19FN2O2/c20-17-8-6-16(7-9-17)19(24)22-12-10-21(11-13-22)14-18(23)15-4-2-1-3-5-15/h1-9H,10-14H2
InChIKeyKJOAWUYNQRVEQX-UHFFFAOYSA-N
XLogP2.47
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
CID 110358942
2-(4-benzoylpiperazin-1-yl)-1-phenylethanone
CID 3599210
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone
CID 4651067
2-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-phenylethanone
CID 110366218
2-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]acetic acid
CID 62824800
(4-fluorophenyl)-[4-(2-methylprop-2-enyl)piperazin-1-yl]methanone
CID 47002075
1-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]-3-phenylbutan-1-one
CID 110421382
1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 3461738
methyl 2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetate
CID 60732940
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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-phenylethanone?
The IUPAC name of 2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-phenylethanone (CID 110366210) is 2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-phenylethanone.
What is the SMILES notation for 2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-phenylethanone?
The canonical SMILES for 2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-phenylethanone is O=C(CN1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccccc1.
What is the InChIKey of 2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-phenylethanone?
The InChIKey is KJOAWUYNQRVEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c20-17-8-6-16(7-9-17)19(24)22-12-10-21(11-13-22)14-18(23)15-4-2-1-3-5-15/h1-9H,10-14H2.
What are the key properties of 2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-phenylethanone?
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-phenylethanone has a molecular weight of 326.37 g/mol, XLogP of 2.47, 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-phenylethanone is sourced from PubChem (CID 110366210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).