2-(2-fluorophenoxy)-1-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-one

C18H21FN4O2 — CID 75494329

IUPAC2-(2-fluorophenoxy)-1-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
SMILESCc1nccc(N2CCN(C(=O)C(C)Oc3ccccc3F)CC2)n1
InChIInChI=1S/C18H21FN4O2/c1-13(25-16-6-4-3-5-15(16)19)18(24)23-11-9-22(10-12-23)17-7-8-20-14(2)21-17/h3-8,13H,9-12H2,1-2H3
InChIKeyQBBBOSVIQQLLCJ-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.04
Rot. Bonds4

About 2-(2-fluorophenoxy)-1-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-one

2-(2-fluorophenoxy)-1-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-one (PubChem CID 75494329) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-1-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-1-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
PubChem CID75494329
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name2-(2-fluorophenoxy)-1-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
SMILESCc1nccc(N2CCN(C(=O)C(C)Oc3ccccc3F)CC2)n1
InChIInChI=1S/C18H21FN4O2/c1-13(25-16-6-4-3-5-15(16)19)18(24)23-11-9-22(10-12-23)17-7-8-20-14(2)21-17/h3-8,13H,9-12H2,1-2H3
InChIKeyQBBBOSVIQQLLCJ-UHFFFAOYSA-N
XLogP2.04
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2-fluorophenoxy)-1-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]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 2-(2-fluorophenoxy)-1-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-(2-fluorophenoxy)-1-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-one (CID 75494329) is 2-(2-fluorophenoxy)-1-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-(2-fluorophenoxy)-1-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-(2-fluorophenoxy)-1-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-one is Cc1nccc(N2CCN(C(=O)C(C)Oc3ccccc3F)CC2)n1.
What is the InChIKey of 2-(2-fluorophenoxy)-1-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-one?
The InChIKey is QBBBOSVIQQLLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-13(25-16-6-4-3-5-15(16)19)18(24)23-11-9-22(10-12-23)17-7-8-20-14(2)21-17/h3-8,13H,9-12H2,1-2H3.
What are the key properties of 2-(2-fluorophenoxy)-1-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-one?
2-(2-fluorophenoxy)-1-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-one has a molecular weight of 344.39 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-1-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 75494329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).