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

C20H22F2N2O3 — CID 46035914

IUPAC4-[(2,4-difluorophenyl)methyl]-1-(2,5-dimethoxyphenyl)-3-methylpiperazin-2-one
SMILESCOc1ccc(OC)c(N2CCN(Cc3ccc(F)cc3F)C(C)C2=O)c1
InChIInChI=1S/C20H22F2N2O3/c1-13-20(25)24(18-11-16(26-2)6-7-19(18)27-3)9-8-23(13)12-14-4-5-15(21)10-17(14)22/h4-7,10-11,13H,8-9,12H2,1-3H3
InChIKeyHWUJVPJZTVYTEE-UHFFFAOYSA-N
MW376.40 g/mol
LogP3.22
Rot. Bonds5

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

4-[(2,4-difluorophenyl)methyl]-1-(2,5-dimethoxyphenyl)-3-methylpiperazin-2-one (PubChem CID 46035914) has the molecular formula C20H22F2N2O3 and a molecular weight of 376.40 g/mol. Its IUPAC name is 4-[(2,4-difluorophenyl)methyl]-1-(2,5-dimethoxyphenyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[(2,4-difluorophenyl)methyl]-1-(2,5-dimethoxyphenyl)-3-methylpiperazin-2-one
PubChem CID46035914
Molecular FormulaC20H22F2N2O3
Molecular Weight376.40 g/mol
Exact Mass376.16
IUPAC Name4-[(2,4-difluorophenyl)methyl]-1-(2,5-dimethoxyphenyl)-3-methylpiperazin-2-one
SMILESCOc1ccc(OC)c(N2CCN(Cc3ccc(F)cc3F)C(C)C2=O)c1
InChIInChI=1S/C20H22F2N2O3/c1-13-20(25)24(18-11-16(26-2)6-7-19(18)27-3)9-8-23(13)12-14-4-5-15(21)10-17(14)22/h4-7,10-11,13H,8-9,12H2,1-3H3
InChIKeyHWUJVPJZTVYTEE-UHFFFAOYSA-N
XLogP3.22
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-difluorophenyl)methyl]-1-(2,5-dimethoxyphenyl)-3-methylpiperazin-2-one?
The IUPAC name of 4-[(2,4-difluorophenyl)methyl]-1-(2,5-dimethoxyphenyl)-3-methylpiperazin-2-one (CID 46035914) is 4-[(2,4-difluorophenyl)methyl]-1-(2,5-dimethoxyphenyl)-3-methylpiperazin-2-one.
What is the SMILES notation for 4-[(2,4-difluorophenyl)methyl]-1-(2,5-dimethoxyphenyl)-3-methylpiperazin-2-one?
The canonical SMILES for 4-[(2,4-difluorophenyl)methyl]-1-(2,5-dimethoxyphenyl)-3-methylpiperazin-2-one is COc1ccc(OC)c(N2CCN(Cc3ccc(F)cc3F)C(C)C2=O)c1.
What is the InChIKey of 4-[(2,4-difluorophenyl)methyl]-1-(2,5-dimethoxyphenyl)-3-methylpiperazin-2-one?
The InChIKey is HWUJVPJZTVYTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O3/c1-13-20(25)24(18-11-16(26-2)6-7-19(18)27-3)9-8-23(13)12-14-4-5-15(21)10-17(14)22/h4-7,10-11,13H,8-9,12H2,1-3H3.
What are the key properties of 4-[(2,4-difluorophenyl)methyl]-1-(2,5-dimethoxyphenyl)-3-methylpiperazin-2-one?
4-[(2,4-difluorophenyl)methyl]-1-(2,5-dimethoxyphenyl)-3-methylpiperazin-2-one has a molecular weight of 376.40 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-difluorophenyl)methyl]-1-(2,5-dimethoxyphenyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 46035914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).