2-(4-benzylpiperazin-1-yl)-N-(4-fluorophenyl)acetamide

C19H22FN3O — CID 847262

IUPAC2-(4-benzylpiperazin-1-yl)-N-(4-fluorophenyl)acetamide
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C19H22FN3O/c20-17-6-8-18(9-7-17)21-19(24)15-23-12-10-22(11-13-23)14-16-4-2-1-3-5-16/h1-9H,10-15H2,(H,21,24)
InChIKeyWQBBOZDPFPVNCM-UHFFFAOYSA-N
MW327.40 g/mol
LogP2.58
Rot. Bonds5

About 2-(4-benzylpiperazin-1-yl)-N-(4-fluorophenyl)acetamide

2-(4-benzylpiperazin-1-yl)-N-(4-fluorophenyl)acetamide (PubChem CID 847262) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-(4-fluorophenyl)acetamide
PubChem CID847262
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-(4-fluorophenyl)acetamide
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C19H22FN3O/c20-17-6-8-18(9-7-17)21-19(24)15-23-12-10-22(11-13-23)14-16-4-2-1-3-5-16/h1-9H,10-15H2,(H,21,24)
InChIKeyWQBBOZDPFPVNCM-UHFFFAOYSA-N
XLogP2.58
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethylphenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 22195926
2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 22195587
2-(4-benzylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 2099416
2-(4-benzyl-1,4-diazepan-1-yl)-N-(3-fluorophenyl)acetamide
CID 16618233
2-[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 22195442
2-[4-[2-(4-benzylpiperazin-1-yl)acetyl]piperazin-1-yl]-N-phenylacetamide
CID 30863583
4-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-methylbenzamide
CID 55409462
2-(8-benzyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)-N-(4-fluorophenyl)acetamide
CID 16896726
N-(4-methylphenyl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 22194960
4-[[4-(2-anilino-2-oxoethyl)piperazin-1-yl]methyl]-N-phenylbenzamide
CID 31694826
ethyl 4-[[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetyl]amino]benzoate
CID 22195938
2-(4-benzyl-1,4-diazepan-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 16608527

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(4-fluorophenyl)acetamide (CID 847262) is 2-(4-benzylpiperazin-1-yl)-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-(4-fluorophenyl)acetamide is O=C(CN1CCN(Cc2ccccc2)CC1)Nc1ccc(F)cc1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-(4-fluorophenyl)acetamide?
The InChIKey is WQBBOZDPFPVNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O/c20-17-6-8-18(9-7-17)21-19(24)15-23-12-10-22(11-13-23)14-16-4-2-1-3-5-16/h1-9H,10-15H2,(H,21,24).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-(4-fluorophenyl)acetamide?
2-(4-benzylpiperazin-1-yl)-N-(4-fluorophenyl)acetamide has a molecular weight of 327.40 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 847262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).