N-[1-[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide

C21H26FN3O — CID 11588436

IUPACN-[1-[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide
SMILESCC(=O)NC(C)c1ccc(CN2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C21H26FN3O/c1-16(23-17(2)26)19-5-3-18(4-6-19)15-24-11-13-25(14-12-24)21-9-7-20(22)8-10-21/h3-10,16H,11-15H2,1-2H3,(H,23,26)
InChIKeyFVGLPFHSSZTDNU-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.35
Rot. Bonds5

About N-[1-[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide

N-[1-[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide (PubChem CID 11588436) has the molecular formula C21H26FN3O and a molecular weight of 355.46 g/mol. Its IUPAC name is N-[1-[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide
PubChem CID11588436
Molecular FormulaC21H26FN3O
Molecular Weight355.46 g/mol
Exact Mass355.21
IUPAC NameN-[1-[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide
SMILESCC(=O)NC(C)c1ccc(CN2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C21H26FN3O/c1-16(23-17(2)26)19-5-3-18(4-6-19)15-24-11-13-25(14-12-24)21-9-7-20(22)8-10-21/h3-10,16H,11-15H2,1-2H3,(H,23,26)
InChIKeyFVGLPFHSSZTDNU-UHFFFAOYSA-N
XLogP3.35
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide?
The IUPAC name of N-[1-[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide (CID 11588436) is N-[1-[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide.
What is the SMILES notation for N-[1-[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide?
The canonical SMILES for N-[1-[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide is CC(=O)NC(C)c1ccc(CN2CCN(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of N-[1-[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide?
The InChIKey is FVGLPFHSSZTDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O/c1-16(23-17(2)26)19-5-3-18(4-6-19)15-24-11-13-25(14-12-24)21-9-7-20(22)8-10-21/h3-10,16H,11-15H2,1-2H3,(H,23,26).
What are the key properties of N-[1-[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide?
N-[1-[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide has a molecular weight of 355.46 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide is sourced from PubChem (CID 11588436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).