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

C18H18F2N2O — CID 24715881

IUPAC1-(3-fluorophenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one
SMILESCC1C(=O)N(c2cccc(F)c2)CCN1Cc1ccc(F)cc1
InChIInChI=1S/C18H18F2N2O/c1-13-18(23)22(17-4-2-3-16(20)11-17)10-9-21(13)12-14-5-7-15(19)8-6-14/h2-8,11,13H,9-10,12H2,1H3
InChIKeyHWIFKFHREZSUFR-UHFFFAOYSA-N
MW316.35 g/mol
LogP3.20
Rot. Bonds3

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

1-(3-fluorophenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one (PubChem CID 24715881) has the molecular formula C18H18F2N2O and a molecular weight of 316.35 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one.

Molecular Properties

Compound Name1-(3-fluorophenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one
PubChem CID24715881
Molecular FormulaC18H18F2N2O
Molecular Weight316.35 g/mol
Exact Mass316.14
IUPAC Name1-(3-fluorophenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one
SMILESCC1C(=O)N(c2cccc(F)c2)CCN1Cc1ccc(F)cc1
InChIInChI=1S/C18H18F2N2O/c1-13-18(23)22(17-4-2-3-16(20)11-17)10-9-21(13)12-14-5-7-15(19)8-6-14/h2-8,11,13H,9-10,12H2,1H3
InChIKeyHWIFKFHREZSUFR-UHFFFAOYSA-N
XLogP3.20
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one?
The IUPAC name of 1-(3-fluorophenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one (CID 24715881) is 1-(3-fluorophenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one.
What is the SMILES notation for 1-(3-fluorophenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one?
The canonical SMILES for 1-(3-fluorophenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one is CC1C(=O)N(c2cccc(F)c2)CCN1Cc1ccc(F)cc1.
What is the InChIKey of 1-(3-fluorophenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one?
The InChIKey is HWIFKFHREZSUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O/c1-13-18(23)22(17-4-2-3-16(20)11-17)10-9-21(13)12-14-5-7-15(19)8-6-14/h2-8,11,13H,9-10,12H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one?
1-(3-fluorophenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one has a molecular weight of 316.35 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one is sourced from PubChem (CID 24715881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).