4-(4-ethenylpiperazin-1-yl)-2-fluorobenzamide

C13H16FN3O — CID 178055839

IUPAC4-(4-ethenylpiperazin-1-yl)-2-fluorobenzamide
SMILESC=CN1CCN(c2ccc(C(N)=O)c(F)c2)CC1
InChIInChI=1S/C13H16FN3O/c1-2-16-5-7-17(8-6-16)10-3-4-11(13(15)18)12(14)9-10/h2-4,9H,1,5-8H2,(H2,15,18)
InChIKeyVZUYSJYWNROTKD-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.19
Rot. Bonds3

About 4-(4-ethenylpiperazin-1-yl)-2-fluorobenzamide

4-(4-ethenylpiperazin-1-yl)-2-fluorobenzamide (PubChem CID 178055839) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 4-(4-ethenylpiperazin-1-yl)-2-fluorobenzamide.

Molecular Properties

Compound Name4-(4-ethenylpiperazin-1-yl)-2-fluorobenzamide
PubChem CID178055839
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name4-(4-ethenylpiperazin-1-yl)-2-fluorobenzamide
SMILESC=CN1CCN(c2ccc(C(N)=O)c(F)c2)CC1
InChIInChI=1S/C13H16FN3O/c1-2-16-5-7-17(8-6-16)10-3-4-11(13(15)18)12(14)9-10/h2-4,9H,1,5-8H2,(H2,15,18)
InChIKeyVZUYSJYWNROTKD-UHFFFAOYSA-N
XLogP1.19
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-ethenylpiperazin-1-yl)-2-fluorobenzamide 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 4-(4-ethenylpiperazin-1-yl)-2-fluorobenzamide?
The IUPAC name of 4-(4-ethenylpiperazin-1-yl)-2-fluorobenzamide (CID 178055839) is 4-(4-ethenylpiperazin-1-yl)-2-fluorobenzamide.
What is the SMILES notation for 4-(4-ethenylpiperazin-1-yl)-2-fluorobenzamide?
The canonical SMILES for 4-(4-ethenylpiperazin-1-yl)-2-fluorobenzamide is C=CN1CCN(c2ccc(C(N)=O)c(F)c2)CC1.
What is the InChIKey of 4-(4-ethenylpiperazin-1-yl)-2-fluorobenzamide?
The InChIKey is VZUYSJYWNROTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-2-16-5-7-17(8-6-16)10-3-4-11(13(15)18)12(14)9-10/h2-4,9H,1,5-8H2,(H2,15,18).
What are the key properties of 4-(4-ethenylpiperazin-1-yl)-2-fluorobenzamide?
4-(4-ethenylpiperazin-1-yl)-2-fluorobenzamide has a molecular weight of 249.29 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethenylpiperazin-1-yl)-2-fluorobenzamide is sourced from PubChem (CID 178055839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).