1-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-[(4-fluorophenyl)methoxy]propan-1-one

C20H21F3N2O2 — CID 24763114

IUPAC1-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-[(4-fluorophenyl)methoxy]propan-1-one
SMILESCC(OCc1ccc(F)cc1)C(=O)N1CCN(c2ccc(F)cc2F)CC1
InChIInChI=1S/C20H21F3N2O2/c1-14(27-13-15-2-4-16(21)5-3-15)20(26)25-10-8-24(9-11-25)19-7-6-17(22)12-18(19)23/h2-7,12,14H,8-11,13H2,1H3
InChIKeyNOKAOBVQFOVMAM-UHFFFAOYSA-N
MW378.39 g/mol
LogP3.36
Rot. Bonds5

About 1-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-[(4-fluorophenyl)methoxy]propan-1-one

1-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-[(4-fluorophenyl)methoxy]propan-1-one (PubChem CID 24763114) has the molecular formula C20H21F3N2O2 and a molecular weight of 378.39 g/mol. Its IUPAC name is 1-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-[(4-fluorophenyl)methoxy]propan-1-one.

Molecular Properties

Compound Name1-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-[(4-fluorophenyl)methoxy]propan-1-one
PubChem CID24763114
Molecular FormulaC20H21F3N2O2
Molecular Weight378.39 g/mol
Exact Mass378.16
IUPAC Name1-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-[(4-fluorophenyl)methoxy]propan-1-one
SMILESCC(OCc1ccc(F)cc1)C(=O)N1CCN(c2ccc(F)cc2F)CC1
InChIInChI=1S/C20H21F3N2O2/c1-14(27-13-15-2-4-16(21)5-3-15)20(26)25-10-8-24(9-11-25)19-7-6-17(22)12-18(19)23/h2-7,12,14H,8-11,13H2,1H3
InChIKeyNOKAOBVQFOVMAM-UHFFFAOYSA-N
XLogP3.36
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-[(4-fluorophenyl)methoxy]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-[(4-fluorophenyl)methoxy]propan-1-one?
The IUPAC name of 1-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-[(4-fluorophenyl)methoxy]propan-1-one (CID 24763114) is 1-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-[(4-fluorophenyl)methoxy]propan-1-one.
What is the SMILES notation for 1-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-[(4-fluorophenyl)methoxy]propan-1-one?
The canonical SMILES for 1-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-[(4-fluorophenyl)methoxy]propan-1-one is CC(OCc1ccc(F)cc1)C(=O)N1CCN(c2ccc(F)cc2F)CC1.
What is the InChIKey of 1-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-[(4-fluorophenyl)methoxy]propan-1-one?
The InChIKey is NOKAOBVQFOVMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O2/c1-14(27-13-15-2-4-16(21)5-3-15)20(26)25-10-8-24(9-11-25)19-7-6-17(22)12-18(19)23/h2-7,12,14H,8-11,13H2,1H3.
What are the key properties of 1-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-[(4-fluorophenyl)methoxy]propan-1-one?
1-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-[(4-fluorophenyl)methoxy]propan-1-one has a molecular weight of 378.39 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-[(4-fluorophenyl)methoxy]propan-1-one is sourced from PubChem (CID 24763114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).