N-[(E)-2-(2-fluorophenyl)ethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide

C18H19FN4O — CID 108904506

IUPACN-[(E)-2-(2-fluorophenyl)ethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESO=C(N/C=C/c1ccccc1F)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H19FN4O/c19-16-6-2-1-5-15(16)8-10-21-18(24)23-13-11-22(12-14-23)17-7-3-4-9-20-17/h1-10H,11-14H2,(H,21,24)/b10-8+
InChIKeyYVBGKAFXMOJXCZ-CSKARUKUSA-N
MW326.38 g/mol
LogP2.72
Rot. Bonds3

About N-[(E)-2-(2-fluorophenyl)ethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide

N-[(E)-2-(2-fluorophenyl)ethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide (PubChem CID 108904506) has the molecular formula C18H19FN4O and a molecular weight of 326.38 g/mol. Its IUPAC name is N-[(E)-2-(2-fluorophenyl)ethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-2-(2-fluorophenyl)ethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide
PubChem CID108904506
Molecular FormulaC18H19FN4O
Molecular Weight326.38 g/mol
Exact Mass326.15
IUPAC NameN-[(E)-2-(2-fluorophenyl)ethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESO=C(N/C=C/c1ccccc1F)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H19FN4O/c19-16-6-2-1-5-15(16)8-10-21-18(24)23-13-11-22(12-14-23)17-7-3-4-9-20-17/h1-10H,11-14H2,(H,21,24)/b10-8+
InChIKeyYVBGKAFXMOJXCZ-CSKARUKUSA-N
XLogP2.72
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(E)-2-(2-fluorophenyl)ethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide 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 N-[(E)-2-(2-fluorophenyl)ethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-[(E)-2-(2-fluorophenyl)ethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide (CID 108904506) is N-[(E)-2-(2-fluorophenyl)ethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(E)-2-(2-fluorophenyl)ethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[(E)-2-(2-fluorophenyl)ethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide is O=C(N/C=C/c1ccccc1F)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N-[(E)-2-(2-fluorophenyl)ethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
The InChIKey is YVBGKAFXMOJXCZ-CSKARUKUSA-N. The full InChI is InChI=1S/C18H19FN4O/c19-16-6-2-1-5-15(16)8-10-21-18(24)23-13-11-22(12-14-23)17-7-3-4-9-20-17/h1-10H,11-14H2,(H,21,24)/b10-8+.
What are the key properties of N-[(E)-2-(2-fluorophenyl)ethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
N-[(E)-2-(2-fluorophenyl)ethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide has a molecular weight of 326.38 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-(2-fluorophenyl)ethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 108904506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).