2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(4-fluorophenyl)acetamide

C19H24FN3O+2 — CID 5155461

IUPAC2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(4-fluorophenyl)acetamide
SMILESO=C(C[NH+]1CC[NH+](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)/p+2
InChIKeyWQBBOZDPFPVNCM-UHFFFAOYSA-P
MW329.42 g/mol
LogP-0.25
Rot. Bonds5

About 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(4-fluorophenyl)acetamide

2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(4-fluorophenyl)acetamide (PubChem CID 5155461) has the molecular formula C19H24FN3O+2 and a molecular weight of 329.42 g/mol. Its IUPAC name is 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(4-fluorophenyl)acetamide
PubChem CID5155461
Molecular FormulaC19H24FN3O+2
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC Name2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(4-fluorophenyl)acetamide
SMILESO=C(C[NH+]1CC[NH+](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)/p+2
InChIKeyWQBBOZDPFPVNCM-UHFFFAOYSA-P
XLogP-0.25
TPSA37.98 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-benzylpiperazine-1,4-diium-1-yl)-N-phenylacetamide
CID 7473112
2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2-phenylethyl)acetamide
CID 9435923
4-[[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]amino]benzamide
CID 4296629
2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(2,5-difluorophenyl)acetamide
CID 8902726
2-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(4-fluorophenyl)acetamide
CID 8719133
2-(4-benzylpiperazine-1,4-diium-1-yl)-N-naphthalen-2-ylacetamide
CID 2697461
4-[[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]amino]-N,N-dimethylbenzamide
CID 8902431
2-[4-[(2-ethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(4-fluorophenyl)acetamide
CID 8719288
2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(4-chloro-3-nitrophenyl)acetamide
CID 9114365
N-benzyl-2-(4-benzylpiperazine-1,4-diium-1-yl)acetamide
CID 8902621
2-[4-[2-(diethylamino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(4-fluorophenyl)acetamide
CID 8719175
N-(4-acetamidophenyl)-2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 9293180

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(4-fluorophenyl)acetamide (CID 5155461) is 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(4-fluorophenyl)acetamide is O=C(C[NH+]1CC[NH+](Cc2ccccc2)CC1)Nc1ccc(F)cc1.
What is the InChIKey of 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(4-fluorophenyl)acetamide?
The InChIKey is WQBBOZDPFPVNCM-UHFFFAOYSA-P. 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)/p+2.
What are the key properties of 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(4-fluorophenyl)acetamide?
2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(4-fluorophenyl)acetamide has a molecular weight of 329.42 g/mol, XLogP of -0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 5155461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).