1-[4-(4-benzoylpiperazin-1-yl)-3-fluorophenyl]propan-1-one

C20H21FN2O2 — CID 609995

IUPAC1-[4-(4-benzoylpiperazin-1-yl)-3-fluorophenyl]propan-1-one
SMILESCCC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(F)c1
InChIInChI=1S/C20H21FN2O2/c1-2-19(24)16-8-9-18(17(21)14-16)22-10-12-23(13-11-22)20(25)15-6-4-3-5-7-15/h3-9,14H,2,10-13H2,1H3
InChIKeyXLQIQCAFDOHJHN-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.38
Rot. Bonds4

About 1-[4-(4-benzoylpiperazin-1-yl)-3-fluorophenyl]propan-1-one

1-[4-(4-benzoylpiperazin-1-yl)-3-fluorophenyl]propan-1-one (PubChem CID 609995) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is 1-[4-(4-benzoylpiperazin-1-yl)-3-fluorophenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-(4-benzoylpiperazin-1-yl)-3-fluorophenyl]propan-1-one
PubChem CID609995
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name1-[4-(4-benzoylpiperazin-1-yl)-3-fluorophenyl]propan-1-one
SMILESCCC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(F)c1
InChIInChI=1S/C20H21FN2O2/c1-2-19(24)16-8-9-18(17(21)14-16)22-10-12-23(13-11-22)20(25)15-6-4-3-5-7-15/h3-9,14H,2,10-13H2,1H3
InChIKeyXLQIQCAFDOHJHN-UHFFFAOYSA-N
XLogP3.38
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-benzoylpiperazin-1-yl)-3-fluorophenyl]propan-1-one?
The IUPAC name of 1-[4-(4-benzoylpiperazin-1-yl)-3-fluorophenyl]propan-1-one (CID 609995) is 1-[4-(4-benzoylpiperazin-1-yl)-3-fluorophenyl]propan-1-one.
What is the SMILES notation for 1-[4-(4-benzoylpiperazin-1-yl)-3-fluorophenyl]propan-1-one?
The canonical SMILES for 1-[4-(4-benzoylpiperazin-1-yl)-3-fluorophenyl]propan-1-one is CCC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(F)c1.
What is the InChIKey of 1-[4-(4-benzoylpiperazin-1-yl)-3-fluorophenyl]propan-1-one?
The InChIKey is XLQIQCAFDOHJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-2-19(24)16-8-9-18(17(21)14-16)22-10-12-23(13-11-22)20(25)15-6-4-3-5-7-15/h3-9,14H,2,10-13H2,1H3.
What are the key properties of 1-[4-(4-benzoylpiperazin-1-yl)-3-fluorophenyl]propan-1-one?
1-[4-(4-benzoylpiperazin-1-yl)-3-fluorophenyl]propan-1-one has a molecular weight of 340.40 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-benzoylpiperazin-1-yl)-3-fluorophenyl]propan-1-one is sourced from PubChem (CID 609995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).