4-[(4-fluorophenyl)methyl]-1-(2-methoxyphenyl)-3-methylpiperazin-2-one

C19H21FN2O2 — CID 24719502

IUPAC4-[(4-fluorophenyl)methyl]-1-(2-methoxyphenyl)-3-methylpiperazin-2-one
SMILESCOc1ccccc1N1CCN(Cc2ccc(F)cc2)C(C)C1=O
InChIInChI=1S/C19H21FN2O2/c1-14-19(23)22(17-5-3-4-6-18(17)24-2)12-11-21(14)13-15-7-9-16(20)10-8-15/h3-10,14H,11-13H2,1-2H3
InChIKeyOSWWHWOAUJBGHL-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.07
Rot. Bonds4

About 4-[(4-fluorophenyl)methyl]-1-(2-methoxyphenyl)-3-methylpiperazin-2-one

4-[(4-fluorophenyl)methyl]-1-(2-methoxyphenyl)-3-methylpiperazin-2-one (PubChem CID 24719502) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-1-(2-methoxyphenyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-1-(2-methoxyphenyl)-3-methylpiperazin-2-one
PubChem CID24719502
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name4-[(4-fluorophenyl)methyl]-1-(2-methoxyphenyl)-3-methylpiperazin-2-one
SMILESCOc1ccccc1N1CCN(Cc2ccc(F)cc2)C(C)C1=O
InChIInChI=1S/C19H21FN2O2/c1-14-19(23)22(17-5-3-4-6-18(17)24-2)12-11-21(14)13-15-7-9-16(20)10-8-15/h3-10,14H,11-13H2,1-2H3
InChIKeyOSWWHWOAUJBGHL-UHFFFAOYSA-N
XLogP3.07
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]-1-(2-methoxyphenyl)-3-methylpiperazin-2-one?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-1-(2-methoxyphenyl)-3-methylpiperazin-2-one (CID 24719502) is 4-[(4-fluorophenyl)methyl]-1-(2-methoxyphenyl)-3-methylpiperazin-2-one.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-1-(2-methoxyphenyl)-3-methylpiperazin-2-one?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-1-(2-methoxyphenyl)-3-methylpiperazin-2-one is COc1ccccc1N1CCN(Cc2ccc(F)cc2)C(C)C1=O.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-1-(2-methoxyphenyl)-3-methylpiperazin-2-one?
The InChIKey is OSWWHWOAUJBGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-14-19(23)22(17-5-3-4-6-18(17)24-2)12-11-21(14)13-15-7-9-16(20)10-8-15/h3-10,14H,11-13H2,1-2H3.
What are the key properties of 4-[(4-fluorophenyl)methyl]-1-(2-methoxyphenyl)-3-methylpiperazin-2-one?
4-[(4-fluorophenyl)methyl]-1-(2-methoxyphenyl)-3-methylpiperazin-2-one has a molecular weight of 328.39 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-1-(2-methoxyphenyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 24719502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).