4-[[4-(difluoromethoxy)phenyl]methyl]-1-(3-methoxyphenyl)-6-methylpiperazin-2-one

C20H22F2N2O3 — CID 45234134

IUPAC4-[[4-(difluoromethoxy)phenyl]methyl]-1-(3-methoxyphenyl)-6-methylpiperazin-2-one
SMILESCOc1cccc(N2C(=O)CN(Cc3ccc(OC(F)F)cc3)CC2C)c1
InChIInChI=1S/C20H22F2N2O3/c1-14-11-23(12-15-6-8-17(9-7-15)27-20(21)22)13-19(25)24(14)16-4-3-5-18(10-16)26-2/h3-10,14,20H,11-13H2,1-2H3
InChIKeyVEQWZFZZQLCKMP-UHFFFAOYSA-N
MW376.40 g/mol
LogP3.53
Rot. Bonds6

About 4-[[4-(difluoromethoxy)phenyl]methyl]-1-(3-methoxyphenyl)-6-methylpiperazin-2-one

4-[[4-(difluoromethoxy)phenyl]methyl]-1-(3-methoxyphenyl)-6-methylpiperazin-2-one (PubChem CID 45234134) has the molecular formula C20H22F2N2O3 and a molecular weight of 376.40 g/mol. Its IUPAC name is 4-[[4-(difluoromethoxy)phenyl]methyl]-1-(3-methoxyphenyl)-6-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[[4-(difluoromethoxy)phenyl]methyl]-1-(3-methoxyphenyl)-6-methylpiperazin-2-one
PubChem CID45234134
Molecular FormulaC20H22F2N2O3
Molecular Weight376.40 g/mol
Exact Mass376.16
IUPAC Name4-[[4-(difluoromethoxy)phenyl]methyl]-1-(3-methoxyphenyl)-6-methylpiperazin-2-one
SMILESCOc1cccc(N2C(=O)CN(Cc3ccc(OC(F)F)cc3)CC2C)c1
InChIInChI=1S/C20H22F2N2O3/c1-14-11-23(12-15-6-8-17(9-7-15)27-20(21)22)13-19(25)24(14)16-4-3-5-18(10-16)26-2/h3-10,14,20H,11-13H2,1-2H3
InChIKeyVEQWZFZZQLCKMP-UHFFFAOYSA-N
XLogP3.53
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(difluoromethoxy)phenyl]methyl]-1-(3-methoxyphenyl)-6-methylpiperazin-2-one?
The IUPAC name of 4-[[4-(difluoromethoxy)phenyl]methyl]-1-(3-methoxyphenyl)-6-methylpiperazin-2-one (CID 45234134) is 4-[[4-(difluoromethoxy)phenyl]methyl]-1-(3-methoxyphenyl)-6-methylpiperazin-2-one.
What is the SMILES notation for 4-[[4-(difluoromethoxy)phenyl]methyl]-1-(3-methoxyphenyl)-6-methylpiperazin-2-one?
The canonical SMILES for 4-[[4-(difluoromethoxy)phenyl]methyl]-1-(3-methoxyphenyl)-6-methylpiperazin-2-one is COc1cccc(N2C(=O)CN(Cc3ccc(OC(F)F)cc3)CC2C)c1.
What is the InChIKey of 4-[[4-(difluoromethoxy)phenyl]methyl]-1-(3-methoxyphenyl)-6-methylpiperazin-2-one?
The InChIKey is VEQWZFZZQLCKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O3/c1-14-11-23(12-15-6-8-17(9-7-15)27-20(21)22)13-19(25)24(14)16-4-3-5-18(10-16)26-2/h3-10,14,20H,11-13H2,1-2H3.
What are the key properties of 4-[[4-(difluoromethoxy)phenyl]methyl]-1-(3-methoxyphenyl)-6-methylpiperazin-2-one?
4-[[4-(difluoromethoxy)phenyl]methyl]-1-(3-methoxyphenyl)-6-methylpiperazin-2-one has a molecular weight of 376.40 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(difluoromethoxy)phenyl]methyl]-1-(3-methoxyphenyl)-6-methylpiperazin-2-one is sourced from PubChem (CID 45234134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).