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

C21H26FN3O — CID 3214668

IUPACN-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccccc1N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H26FN3O/c1-2-3-8-21(26)23-19-6-4-5-7-20(19)25-15-13-24(14-16-25)18-11-9-17(22)10-12-18/h4-7,9-12H,2-3,8,13-16H2,1H3,(H,23,26)
InChIKeyWHIPBHJGDJPYIC-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.28
Rot. Bonds6

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

N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]pentanamide (PubChem CID 3214668) has the molecular formula C21H26FN3O and a molecular weight of 355.46 g/mol. Its IUPAC name is N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]pentanamide.

Molecular Properties

Compound NameN-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]pentanamide
PubChem CID3214668
Molecular FormulaC21H26FN3O
Molecular Weight355.46 g/mol
Exact Mass355.21
IUPAC NameN-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccccc1N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H26FN3O/c1-2-3-8-21(26)23-19-6-4-5-7-20(19)25-15-13-24(14-16-25)18-11-9-17(22)10-12-18/h4-7,9-12H,2-3,8,13-16H2,1H3,(H,23,26)
InChIKeyWHIPBHJGDJPYIC-UHFFFAOYSA-N
XLogP4.28
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]pentanamide?
The IUPAC name of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]pentanamide (CID 3214668) is N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]pentanamide.
What is the SMILES notation for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]pentanamide?
The canonical SMILES for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]pentanamide is CCCCC(=O)Nc1ccccc1N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]pentanamide?
The InChIKey is WHIPBHJGDJPYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O/c1-2-3-8-21(26)23-19-6-4-5-7-20(19)25-15-13-24(14-16-25)18-11-9-17(22)10-12-18/h4-7,9-12H,2-3,8,13-16H2,1H3,(H,23,26).
What are the key properties of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]pentanamide?
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]pentanamide has a molecular weight of 355.46 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]pentanamide is sourced from PubChem (CID 3214668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).