3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-phenylpropanamide

C19H23FN3O+ — CID 4742313

IUPAC3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-phenylpropanamide
SMILESO=C(CC[NH+]1CCN(c2ccccc2F)CC1)Nc1ccccc1
InChIInChI=1S/C19H22FN3O/c20-17-8-4-5-9-18(17)23-14-12-22(13-15-23)11-10-19(24)21-16-6-2-1-3-7-16/h1-9H,10-15H2,(H,21,24)/p+1
InChIKeyLEJZBSRRMGQHIT-UHFFFAOYSA-O
MW328.41 g/mol
LogP1.56
Rot. Bonds5

About 3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-phenylpropanamide

3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-phenylpropanamide (PubChem CID 4742313) has the molecular formula C19H23FN3O+ and a molecular weight of 328.41 g/mol. Its IUPAC name is 3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-phenylpropanamide.

Molecular Properties

Compound Name3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-phenylpropanamide
PubChem CID4742313
Molecular FormulaC19H23FN3O+
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-phenylpropanamide
SMILESO=C(CC[NH+]1CCN(c2ccccc2F)CC1)Nc1ccccc1
InChIInChI=1S/C19H22FN3O/c20-17-8-4-5-9-18(17)23-14-12-22(13-15-23)11-10-19(24)21-16-6-2-1-3-7-16/h1-9H,10-15H2,(H,21,24)/p+1
InChIKeyLEJZBSRRMGQHIT-UHFFFAOYSA-O
XLogP1.56
TPSA36.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-phenylpropanamide 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-(3-chlorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propanamide
CID 7027960
N-(3-bromophenyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide
CID 2117154
3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 7289369
2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-(3-nitrophenyl)acetamide
CID 6978066
N-(2-bromophenyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide
CID 2064231
N-(3-fluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
CID 740647
N-(3-fluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide;oxalic acid
CID 171154645
2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 2539642
N-(4-chloro-2-fluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide
CID 2654092
N-(3-chloro-4-cyanophenyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide
CID 2086316
methyl 4-[3-[4-(2-fluorophenyl)piperazin-1-yl]propanoylamino]benzoate
CID 109029947
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide
CID 771783

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-phenylpropanamide?
The IUPAC name of 3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-phenylpropanamide (CID 4742313) is 3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-phenylpropanamide.
What is the SMILES notation for 3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-phenylpropanamide?
The canonical SMILES for 3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-phenylpropanamide is O=C(CC[NH+]1CCN(c2ccccc2F)CC1)Nc1ccccc1.
What is the InChIKey of 3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-phenylpropanamide?
The InChIKey is LEJZBSRRMGQHIT-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H22FN3O/c20-17-8-4-5-9-18(17)23-14-12-22(13-15-23)11-10-19(24)21-16-6-2-1-3-7-16/h1-9H,10-15H2,(H,21,24)/p+1.
What are the key properties of 3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-phenylpropanamide?
3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-phenylpropanamide has a molecular weight of 328.41 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-phenylpropanamide is sourced from PubChem (CID 4742313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).