1-(4-benzoylpiperazin-1-yl)-3-(4-fluorophenyl)butan-1-one

C21H23FN2O2 — CID 110352133

IUPAC1-(4-benzoylpiperazin-1-yl)-3-(4-fluorophenyl)butan-1-one
SMILESCC(CC(=O)N1CCN(C(=O)c2ccccc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C21H23FN2O2/c1-16(17-7-9-19(22)10-8-17)15-20(25)23-11-13-24(14-12-23)21(26)18-5-3-2-4-6-18/h2-10,16H,11-15H2,1H3
InChIKeyOWVBDPFPVQFDJQ-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.30
Rot. Bonds4

About 1-(4-benzoylpiperazin-1-yl)-3-(4-fluorophenyl)butan-1-one

1-(4-benzoylpiperazin-1-yl)-3-(4-fluorophenyl)butan-1-one (PubChem CID 110352133) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is 1-(4-benzoylpiperazin-1-yl)-3-(4-fluorophenyl)butan-1-one.

Molecular Properties

Compound Name1-(4-benzoylpiperazin-1-yl)-3-(4-fluorophenyl)butan-1-one
PubChem CID110352133
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC Name1-(4-benzoylpiperazin-1-yl)-3-(4-fluorophenyl)butan-1-one
SMILESCC(CC(=O)N1CCN(C(=O)c2ccccc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C21H23FN2O2/c1-16(17-7-9-19(22)10-8-17)15-20(25)23-11-13-24(14-12-23)21(26)18-5-3-2-4-6-18/h2-10,16H,11-15H2,1H3
InChIKeyOWVBDPFPVQFDJQ-UHFFFAOYSA-N
XLogP3.30
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]-3-phenylbutan-1-one
CID 110421382
3-(4-fluorophenyl)-1-[4-(2-phenylethyl)piperazin-1-yl]butan-1-one
CID 55924108
3-[4-[3-(4-fluorophenyl)butanoyl]piperazin-1-yl]butanoic acid
CID 138038194
[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-phenylmethanone
CID 9378917
2-[1-[3-(4-fluorophenyl)butanoyl]piperidin-4-yl]acetic acid
CID 119178715
1-[4-(bromomethylsulfonyl)piperazin-1-yl]-3-(4-fluorophenyl)butan-1-one
CID 75447544
3-(4-fluorophenyl)-1-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-1-one
CID 55961139
(3S)-1-(azepan-1-yl)-3-phenylbutan-1-one
CID 2164015
1-[4-[(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-3-methylbutan-1-one
CID 46099721
3-phenyl-1-piperazin-1-ylbutan-1-one;hydrochloride
CID 119401565
1-[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-3-phenylbutan-1-one
CID 110610580
2-(4-benzoylpiperazin-1-yl)-2-(4-fluorophenyl)acetamide
CID 69403152

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzoylpiperazin-1-yl)-3-(4-fluorophenyl)butan-1-one?
The IUPAC name of 1-(4-benzoylpiperazin-1-yl)-3-(4-fluorophenyl)butan-1-one (CID 110352133) is 1-(4-benzoylpiperazin-1-yl)-3-(4-fluorophenyl)butan-1-one.
What is the SMILES notation for 1-(4-benzoylpiperazin-1-yl)-3-(4-fluorophenyl)butan-1-one?
The canonical SMILES for 1-(4-benzoylpiperazin-1-yl)-3-(4-fluorophenyl)butan-1-one is CC(CC(=O)N1CCN(C(=O)c2ccccc2)CC1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-benzoylpiperazin-1-yl)-3-(4-fluorophenyl)butan-1-one?
The InChIKey is OWVBDPFPVQFDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O2/c1-16(17-7-9-19(22)10-8-17)15-20(25)23-11-13-24(14-12-23)21(26)18-5-3-2-4-6-18/h2-10,16H,11-15H2,1H3.
What are the key properties of 1-(4-benzoylpiperazin-1-yl)-3-(4-fluorophenyl)butan-1-one?
1-(4-benzoylpiperazin-1-yl)-3-(4-fluorophenyl)butan-1-one has a molecular weight of 354.43 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzoylpiperazin-1-yl)-3-(4-fluorophenyl)butan-1-one is sourced from PubChem (CID 110352133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).