N-[4-(4-fluorophenyl)piperazin-1-yl]hexadecanamide

C26H44FN3O — CID 46230417

IUPACN-[4-(4-fluorophenyl)piperazin-1-yl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C26H44FN3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-26(31)28-30-22-20-29(21-23-30)25-18-16-24(27)17-19-25/h16-19H,2-15,20-23H2,1H3,(H,28,31)
InChIKeyQOFGBIPMLMGHIK-UHFFFAOYSA-N
MW433.66 g/mol
LogP6.46
Rot. Bonds16

About N-[4-(4-fluorophenyl)piperazin-1-yl]hexadecanamide

N-[4-(4-fluorophenyl)piperazin-1-yl]hexadecanamide (PubChem CID 46230417) has the molecular formula C26H44FN3O and a molecular weight of 433.66 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)piperazin-1-yl]hexadecanamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)piperazin-1-yl]hexadecanamide
PubChem CID46230417
Molecular FormulaC26H44FN3O
Molecular Weight433.66 g/mol
Exact Mass433.35
IUPAC NameN-[4-(4-fluorophenyl)piperazin-1-yl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C26H44FN3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-26(31)28-30-22-20-29(21-23-30)25-18-16-24(27)17-19-25/h16-19H,2-15,20-23H2,1H3,(H,28,31)
InChIKeyQOFGBIPMLMGHIK-UHFFFAOYSA-N
XLogP6.46
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.66
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-fluorophenyl)piperazin-1-yl]octan-1-one
CID 4161880
1-[4-(4-fluorophenyl)piperazin-1-yl]decan-1-one
CID 3670051
1-[4-(4-fluorophenyl)piperazin-1-yl]hexan-1-one
CID 591294
N-(4-methylpiperazin-1-yl)dodecanamide
CID 3590549
4-fluoro-N-[4-(4-octanoylpiperazin-1-yl)phenyl]benzenesulfonamide
CID 42767223
4-[4-(4-fluorophenyl)piperazin-1-yl]butanehydrazide
CID 30031547
ethyl 4-(4-fluorophenyl)piperazine-1-carboxylate
CID 4179359
N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]decanamide
CID 53361392
N-[4-[4-(2-ethylbutanoyl)piperazin-1-yl]phenyl]nonanamide
CID 4553129
1-[4-(4-fluorophenyl)piperazin-1-yl]decan-2-ol
CID 110181226
N-[(4-thiomorpholin-4-ylphenyl)methyl]octanamide
CID 60521526
1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 3659016

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)piperazin-1-yl]hexadecanamide?
The IUPAC name of N-[4-(4-fluorophenyl)piperazin-1-yl]hexadecanamide (CID 46230417) is N-[4-(4-fluorophenyl)piperazin-1-yl]hexadecanamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)piperazin-1-yl]hexadecanamide?
The canonical SMILES for N-[4-(4-fluorophenyl)piperazin-1-yl]hexadecanamide is CCCCCCCCCCCCCCCC(=O)NN1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of N-[4-(4-fluorophenyl)piperazin-1-yl]hexadecanamide?
The InChIKey is QOFGBIPMLMGHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H44FN3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-26(31)28-30-22-20-29(21-23-30)25-18-16-24(27)17-19-25/h16-19H,2-15,20-23H2,1H3,(H,28,31).
What are the key properties of N-[4-(4-fluorophenyl)piperazin-1-yl]hexadecanamide?
N-[4-(4-fluorophenyl)piperazin-1-yl]hexadecanamide has a molecular weight of 433.66 g/mol, XLogP of 6.46, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)piperazin-1-yl]hexadecanamide is sourced from PubChem (CID 46230417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).