1-(2,5-dimethoxyphenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one

C20H23FN2O3 — CID 46035910

IUPAC1-(2,5-dimethoxyphenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one
SMILESCOc1ccc(OC)c(N2CCN(Cc3ccc(F)cc3)C(C)C2=O)c1
InChIInChI=1S/C20H23FN2O3/c1-14-20(24)23(18-12-17(25-2)8-9-19(18)26-3)11-10-22(14)13-15-4-6-16(21)7-5-15/h4-9,12,14H,10-11,13H2,1-3H3
InChIKeyFWQDCUQPOFXMCK-UHFFFAOYSA-N
MW358.41 g/mol
LogP3.08
Rot. Bonds5

About 1-(2,5-dimethoxyphenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one

1-(2,5-dimethoxyphenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one (PubChem CID 46035910) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one
PubChem CID46035910
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Name1-(2,5-dimethoxyphenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one
SMILESCOc1ccc(OC)c(N2CCN(Cc3ccc(F)cc3)C(C)C2=O)c1
InChIInChI=1S/C20H23FN2O3/c1-14-20(24)23(18-12-17(25-2)8-9-19(18)26-3)11-10-22(14)13-15-4-6-16(21)7-5-15/h4-9,12,14H,10-11,13H2,1-3H3
InChIKeyFWQDCUQPOFXMCK-UHFFFAOYSA-N
XLogP3.08
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one (CID 46035910) is 1-(2,5-dimethoxyphenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one is COc1ccc(OC)c(N2CCN(Cc3ccc(F)cc3)C(C)C2=O)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one?
The InChIKey is FWQDCUQPOFXMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3/c1-14-20(24)23(18-12-17(25-2)8-9-19(18)26-3)11-10-22(14)13-15-4-6-16(21)7-5-15/h4-9,12,14H,10-11,13H2,1-3H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one?
1-(2,5-dimethoxyphenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one has a molecular weight of 358.41 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one is sourced from PubChem (CID 46035910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).