(3S)-1,4-dibenzyl-3-(4-fluorophenyl)piperazin-2-one

C24H23FN2O — CID 54579189

IUPAC(3S)-1,4-dibenzyl-3-(4-fluorophenyl)piperazin-2-one
SMILESO=C1[C@H](c2ccc(F)cc2)N(Cc2ccccc2)CCN1Cc1ccccc1
InChIInChI=1S/C24H23FN2O/c25-22-13-11-21(12-14-22)23-24(28)27(18-20-9-5-2-6-10-20)16-15-26(23)17-19-7-3-1-4-8-19/h1-14,23H,15-18H2/t23-/m0/s1
InChIKeyGHSRZSIDROFCDF-QHCPKHFHSA-N
MW374.46 g/mol
LogP4.41
Rot. Bonds5

About (3S)-1,4-dibenzyl-3-(4-fluorophenyl)piperazin-2-one

(3S)-1,4-dibenzyl-3-(4-fluorophenyl)piperazin-2-one (PubChem CID 54579189) has the molecular formula C24H23FN2O and a molecular weight of 374.46 g/mol. Its IUPAC name is (3S)-1,4-dibenzyl-3-(4-fluorophenyl)piperazin-2-one.

Molecular Properties

Compound Name(3S)-1,4-dibenzyl-3-(4-fluorophenyl)piperazin-2-one
PubChem CID54579189
Molecular FormulaC24H23FN2O
Molecular Weight374.46 g/mol
Exact Mass374.18
IUPAC Name(3S)-1,4-dibenzyl-3-(4-fluorophenyl)piperazin-2-one
SMILESO=C1[C@H](c2ccc(F)cc2)N(Cc2ccccc2)CCN1Cc1ccccc1
InChIInChI=1S/C24H23FN2O/c25-22-13-11-21(12-14-22)23-24(28)27(18-20-9-5-2-6-10-20)16-15-26(23)17-19-7-3-1-4-8-19/h1-14,23H,15-18H2/t23-/m0/s1
InChIKeyGHSRZSIDROFCDF-QHCPKHFHSA-N
XLogP4.41
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-1,4-dibenzyl-3-(4-fluorophenyl)piperazin-2-one?
The IUPAC name of (3S)-1,4-dibenzyl-3-(4-fluorophenyl)piperazin-2-one (CID 54579189) is (3S)-1,4-dibenzyl-3-(4-fluorophenyl)piperazin-2-one.
What is the SMILES notation for (3S)-1,4-dibenzyl-3-(4-fluorophenyl)piperazin-2-one?
The canonical SMILES for (3S)-1,4-dibenzyl-3-(4-fluorophenyl)piperazin-2-one is O=C1[C@H](c2ccc(F)cc2)N(Cc2ccccc2)CCN1Cc1ccccc1.
What is the InChIKey of (3S)-1,4-dibenzyl-3-(4-fluorophenyl)piperazin-2-one?
The InChIKey is GHSRZSIDROFCDF-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H23FN2O/c25-22-13-11-21(12-14-22)23-24(28)27(18-20-9-5-2-6-10-20)16-15-26(23)17-19-7-3-1-4-8-19/h1-14,23H,15-18H2/t23-/m0/s1.
What are the key properties of (3S)-1,4-dibenzyl-3-(4-fluorophenyl)piperazin-2-one?
(3S)-1,4-dibenzyl-3-(4-fluorophenyl)piperazin-2-one has a molecular weight of 374.46 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1,4-dibenzyl-3-(4-fluorophenyl)piperazin-2-one is sourced from PubChem (CID 54579189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).