5-[[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one

C19H22FN3O3 — CID 53191719

IUPAC5-[[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one
SMILESCn1cc(CN2CCN(C(=O)COc3ccc(F)cc3)CC2)ccc1=O
InChIInChI=1S/C19H22FN3O3/c1-21-12-15(2-7-18(21)24)13-22-8-10-23(11-9-22)19(25)14-26-17-5-3-16(20)4-6-17/h2-7,12H,8-11,13-14H2,1H3
InChIKeySQMKQTUGCULGIO-UHFFFAOYSA-N
MW359.40 g/mol
LogP1.25
Rot. Bonds5

About 5-[[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one

5-[[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one (PubChem CID 53191719) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is 5-[[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one
PubChem CID53191719
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC Name5-[[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one
SMILESCn1cc(CN2CCN(C(=O)COc3ccc(F)cc3)CC2)ccc1=O
InChIInChI=1S/C19H22FN3O3/c1-21-12-15(2-7-18(21)24)13-22-8-10-23(11-9-22)19(25)14-26-17-5-3-16(20)4-6-17/h2-7,12H,8-11,13-14H2,1H3
InChIKeySQMKQTUGCULGIO-UHFFFAOYSA-N
XLogP1.25
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]methyl]-1-methylpyridin-2-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 5-[[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one?
The IUPAC name of 5-[[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one (CID 53191719) is 5-[[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one is Cn1cc(CN2CCN(C(=O)COc3ccc(F)cc3)CC2)ccc1=O.
What is the InChIKey of 5-[[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one?
The InChIKey is SQMKQTUGCULGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3/c1-21-12-15(2-7-18(21)24)13-22-8-10-23(11-9-22)19(25)14-26-17-5-3-16(20)4-6-17/h2-7,12H,8-11,13-14H2,1H3.
What are the key properties of 5-[[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one?
5-[[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one has a molecular weight of 359.40 g/mol, XLogP of 1.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one is sourced from PubChem (CID 53191719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).