N-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]propanamide

C20H24FN3O — CID 650852

IUPACN-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(N2CCN(Cc3ccccc3F)CC2)cc1
InChIInChI=1S/C20H24FN3O/c1-2-20(25)22-17-7-9-18(10-8-17)24-13-11-23(12-14-24)15-16-5-3-4-6-19(16)21/h3-10H,2,11-15H2,1H3,(H,22,25)
InChIKeyTUOYAEPOLIHVSQ-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.50
Rot. Bonds5

About N-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]propanamide

N-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]propanamide (PubChem CID 650852) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is N-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]propanamide
PubChem CID650852
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC NameN-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(N2CCN(Cc3ccccc3F)CC2)cc1
InChIInChI=1S/C20H24FN3O/c1-2-20(25)22-17-7-9-18(10-8-17)24-13-11-23(12-14-24)15-16-5-3-4-6-19(16)21/h3-10H,2,11-15H2,1H3,(H,22,25)
InChIKeyTUOYAEPOLIHVSQ-UHFFFAOYSA-N
XLogP3.50
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-ethylpiperazin-1-yl)phenyl]-3-(2-fluorophenyl)propanamide
CID 17400855
N-[4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]propanamide
CID 6965904
4-[(2-fluorophenyl)methyl]-N-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113107426
2,5-dichloro-N-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]benzamide
CID 3971845
N-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]-2-(4-nitrophenoxy)acetamide
CID 2959437
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-6-(propanoylamino)quinoline-4-carboxylic acid;trihydrochloride
CID 146058241
N-[4-(4-acetylpiperazin-1-yl)phenyl]propanamide
CID 711710
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 15993712
4-cyano-2-fluoro-N-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]benzamide
CID 1299535
2-(2,4-dichlorophenoxy)-N-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]propanamide
CID 4237560
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-phenylacetamide
CID 969221
4-ethoxy-N-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]-3-nitrobenzamide
CID 2959388

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]propanamide?
The IUPAC name of N-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]propanamide (CID 650852) is N-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]propanamide.
What is the SMILES notation for N-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]propanamide?
The canonical SMILES for N-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]propanamide is CCC(=O)Nc1ccc(N2CCN(Cc3ccccc3F)CC2)cc1.
What is the InChIKey of N-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]propanamide?
The InChIKey is TUOYAEPOLIHVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O/c1-2-20(25)22-17-7-9-18(10-8-17)24-13-11-23(12-14-24)15-16-5-3-4-6-19(16)21/h3-10H,2,11-15H2,1H3,(H,22,25).
What are the key properties of N-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]propanamide?
N-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]propanamide has a molecular weight of 341.43 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]propanamide is sourced from PubChem (CID 650852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).