1-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one

C20H21FN2O2 — CID 110364923

IUPAC1-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H21FN2O2/c21-18-9-7-17(8-10-18)20(25)23-14-12-22(13-15-23)19(24)11-6-16-4-2-1-3-5-16/h1-5,7-10H,6,11-15H2
InChIKeyFOUMGNPQILIKRD-UHFFFAOYSA-N
MW340.40 g/mol
LogP2.74
Rot. Bonds4

About 1-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one

1-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one (PubChem CID 110364923) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is 1-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
PubChem CID110364923
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name1-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H21FN2O2/c21-18-9-7-17(8-10-18)20(25)23-14-12-22(13-15-23)19(24)11-6-16-4-2-1-3-5-16/h1-5,7-10H,6,11-15H2
InChIKeyFOUMGNPQILIKRD-UHFFFAOYSA-N
XLogP2.74
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 110802741
1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 108536427
1-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-(4-fluorophenyl)propan-1-one
CID 32523207
1-(4-benzoyl-1,4-diazepan-1-yl)-3-(3-fluorophenyl)propan-1-one
CID 110798188
1-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-3-phenylpropan-1-one
CID 110798353
1-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 48866857
3-(2-aminophenyl)-1-[4-(4-fluorobenzoyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120608667
4-[3-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-oxopropyl]benzoic acid
CID 119184995
1-(4-benzoylpiperazin-1-yl)-3-(4-methylphenyl)propan-1-one
CID 18121411
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-3-(4-fluorophenyl)propan-1-one
CID 32761996
1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-3-(4-fluorophenyl)propan-1-one
CID 55556424
1-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 48866980

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one (CID 110364923) is 1-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one is O=C(CCc1ccccc1)N1CCN(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one?
The InChIKey is FOUMGNPQILIKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c21-18-9-7-17(8-10-18)20(25)23-14-12-22(13-15-23)19(24)11-6-16-4-2-1-3-5-16/h1-5,7-10H,6,11-15H2.
What are the key properties of 1-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one?
1-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one has a molecular weight of 340.40 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 110364923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).