N-[5-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridinyl]benzamide

C22H21FN4O — CID 113029474

IUPACN-[5-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridinyl]benzamide
SMILESO=C(Nc1ccc(N2CCN(c3ccccc3F)CC2)cn1)c1ccccc1
InChIInChI=1S/C22H21FN4O/c23-19-8-4-5-9-20(19)27-14-12-26(13-15-27)18-10-11-21(24-16-18)25-22(28)17-6-2-1-3-7-17/h1-11,16H,12-15H2,(H,24,25,28)
InChIKeyRMAHULSKWGGOEU-UHFFFAOYSA-N
MW376.44 g/mol
LogP3.80
Rot. Bonds4

About N-[5-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridinyl]benzamide

N-[5-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridinyl]benzamide (PubChem CID 113029474) has the molecular formula C22H21FN4O and a molecular weight of 376.44 g/mol. Its IUPAC name is N-[5-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[5-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridinyl]benzamide
PubChem CID113029474
Molecular FormulaC22H21FN4O
Molecular Weight376.44 g/mol
Exact Mass376.17
IUPAC NameN-[5-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridinyl]benzamide
SMILESO=C(Nc1ccc(N2CCN(c3ccccc3F)CC2)cn1)c1ccccc1
InChIInChI=1S/C22H21FN4O/c23-19-8-4-5-9-20(19)27-14-12-26(13-15-27)18-10-11-21(24-16-18)25-22(28)17-6-2-1-3-7-17/h1-11,16H,12-15H2,(H,24,25,28)
InChIKeyRMAHULSKWGGOEU-UHFFFAOYSA-N
XLogP3.80
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[5-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridinyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]benzamide
CID 113026047
4-fluoro-N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]benzamide
CID 113029575
2,6-difluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzamide
CID 86992589
5-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylphenyl)pyridine-2-carboxamide
CID 109194366
N-(3-fluorophenyl)-5-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 109194372
3-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
CID 119494063
3-fluoro-N-[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]benzamide
CID 113029367
3-fluoro-N-[4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl]benzamide
CID 112984547
N-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]-4-fluorobenzamide
CID 113031771
N-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]pyridine-3-carboxamide
CID 113028773
4-methyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzamide
CID 32947923
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-phenylethanone
CID 51363004

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridinyl]benzamide?
The IUPAC name of N-[5-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridinyl]benzamide (CID 113029474) is N-[5-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridinyl]benzamide.
What is the SMILES notation for N-[5-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridinyl]benzamide?
The canonical SMILES for N-[5-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridinyl]benzamide is O=C(Nc1ccc(N2CCN(c3ccccc3F)CC2)cn1)c1ccccc1.
What is the InChIKey of N-[5-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridinyl]benzamide?
The InChIKey is RMAHULSKWGGOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O/c23-19-8-4-5-9-20(19)27-14-12-26(13-15-27)18-10-11-21(24-16-18)25-22(28)17-6-2-1-3-7-17/h1-11,16H,12-15H2,(H,24,25,28).
What are the key properties of N-[5-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridinyl]benzamide?
N-[5-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridinyl]benzamide has a molecular weight of 376.44 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 113029474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).