3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-methyl-1-(1-methylpiperidin-4-yl)urea

C18H25FN4O2 — CID 16808928

IUPAC3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-methyl-1-(1-methylpiperidin-4-yl)urea
SMILESCN1CCC(N(C)C(=O)NC2CC(=O)N(c3cccc(F)c3)C2)CC1
InChIInChI=1S/C18H25FN4O2/c1-21-8-6-15(7-9-21)22(2)18(25)20-14-11-17(24)23(12-14)16-5-3-4-13(19)10-16/h3-5,10,14-15H,6-9,11-12H2,1-2H3,(H,20,25)
InChIKeyJFNPLODAGLYURC-UHFFFAOYSA-N
MW348.42 g/mol
LogP1.67
Rot. Bonds3

About 3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-methyl-1-(1-methylpiperidin-4-yl)urea

3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-methyl-1-(1-methylpiperidin-4-yl)urea (PubChem CID 16808928) has the molecular formula C18H25FN4O2 and a molecular weight of 348.42 g/mol. Its IUPAC name is 3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-methyl-1-(1-methylpiperidin-4-yl)urea.

Molecular Properties

Compound Name3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-methyl-1-(1-methylpiperidin-4-yl)urea
PubChem CID16808928
Molecular FormulaC18H25FN4O2
Molecular Weight348.42 g/mol
Exact Mass348.20
IUPAC Name3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-methyl-1-(1-methylpiperidin-4-yl)urea
SMILESCN1CCC(N(C)C(=O)NC2CC(=O)N(c3cccc(F)c3)C2)CC1
InChIInChI=1S/C18H25FN4O2/c1-21-8-6-15(7-9-21)22(2)18(25)20-14-11-17(24)23(12-14)16-5-3-4-13(19)10-16/h3-5,10,14-15H,6-9,11-12H2,1-2H3,(H,20,25)
InChIKeyJFNPLODAGLYURC-UHFFFAOYSA-N
XLogP1.67
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-methyl-1-(1-methylpiperidin-4-yl)urea 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 3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-methyl-1-(1-methylpiperidin-4-yl)urea?
The IUPAC name of 3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-methyl-1-(1-methylpiperidin-4-yl)urea (CID 16808928) is 3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-methyl-1-(1-methylpiperidin-4-yl)urea.
What is the SMILES notation for 3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-methyl-1-(1-methylpiperidin-4-yl)urea?
The canonical SMILES for 3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-methyl-1-(1-methylpiperidin-4-yl)urea is CN1CCC(N(C)C(=O)NC2CC(=O)N(c3cccc(F)c3)C2)CC1.
What is the InChIKey of 3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-methyl-1-(1-methylpiperidin-4-yl)urea?
The InChIKey is JFNPLODAGLYURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O2/c1-21-8-6-15(7-9-21)22(2)18(25)20-14-11-17(24)23(12-14)16-5-3-4-13(19)10-16/h3-5,10,14-15H,6-9,11-12H2,1-2H3,(H,20,25).
What are the key properties of 3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-methyl-1-(1-methylpiperidin-4-yl)urea?
3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-methyl-1-(1-methylpiperidin-4-yl)urea has a molecular weight of 348.42 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-methyl-1-(1-methylpiperidin-4-yl)urea is sourced from PubChem (CID 16808928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).