2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide

C21H26FN3O — CID 6466746

IUPAC2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
SMILESO=C(CN1CCN(Cc2ccc(F)cc2)CC1)NCCc1ccccc1
InChIInChI=1S/C21H26FN3O/c22-20-8-6-19(7-9-20)16-24-12-14-25(15-13-24)17-21(26)23-11-10-18-4-2-1-3-5-18/h1-9H,10-17H2,(H,23,26)
InChIKeyLPVKWCZVPBZETQ-UHFFFAOYSA-N
MW355.46 g/mol
LogP2.30
Rot. Bonds7

About 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide

2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide (PubChem CID 6466746) has the molecular formula C21H26FN3O and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
PubChem CID6466746
Molecular FormulaC21H26FN3O
Molecular Weight355.46 g/mol
Exact Mass355.21
IUPAC Name2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
SMILESO=C(CN1CCN(Cc2ccc(F)cc2)CC1)NCCc1ccccc1
InChIInChI=1S/C21H26FN3O/c22-20-8-6-19(7-9-20)16-24-12-14-25(15-13-24)17-21(26)23-11-10-18-4-2-1-3-5-18/h1-9H,10-17H2,(H,23,26)
InChIKeyLPVKWCZVPBZETQ-UHFFFAOYSA-N
XLogP2.30
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Remacemide
CID 60511
1-(Bis(4-fluorophenyl)methyl)piperazine
CID 152932
1-(4-Benzhydrylpiperazin-1-yl)ethanone
CID 885644
((E)-N-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)butyl)-3-phenylacrylamide
CID 10065496
4-benzhydryl-N-butylpiperazine-1-carboxamide
CID 2809754
(S)-2-[(R)-3-amino-4-(2-fluorophenyl)butyryl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 5494385
(1S)-1-Cyclopropyl-2-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1H-pyrrol-1-YL]-2-oxoethanamine
CID 6102824
Acetamide, N-benzyl-2-(1-pyrrolidinyl)-, hydrochloride
CID 2959243
4-Morpholineacetamide, N-(phenylmethyl)-
CID 2958814
1-Benzyl-4-(propylamino)piperidine-4-carboxamide
CID 70574
N,N'-Dibenzyloxamide
CID 219253
(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-N-benzylpyrrolidine-2-carboxamide
CID 10178009

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide (CID 6466746) is 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide is O=C(CN1CCN(Cc2ccc(F)cc2)CC1)NCCc1ccccc1.
What is the InChIKey of 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide?
The InChIKey is LPVKWCZVPBZETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O/c22-20-8-6-19(7-9-20)16-24-12-14-25(15-13-24)17-21(26)23-11-10-18-4-2-1-3-5-18/h1-9H,10-17H2,(H,23,26).
What are the key properties of 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide?
2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide has a molecular weight of 355.46 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 6466746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).