2-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]-N-(4-fluorophenyl)acetamide

C21H24FN4O3+ — CID 9223309

IUPAC2-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]-N-(4-fluorophenyl)acetamide
SMILESO=C(C[NH+]1CCN(C(=O)c2ccccc2)CC1)NCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C21H23FN4O3/c22-17-6-8-18(9-7-17)24-19(27)14-23-20(28)15-25-10-12-26(13-11-25)21(29)16-4-2-1-3-5-16/h1-9H,10-15H2,(H,23,28)(H,24,27)/p+1
InChIKeySTUTYKPKTMKJKW-UHFFFAOYSA-O
MW399.45 g/mol
LogP-0.08
Rot. Bonds6

About 2-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]-N-(4-fluorophenyl)acetamide

2-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]-N-(4-fluorophenyl)acetamide (PubChem CID 9223309) has the molecular formula C21H24FN4O3+ and a molecular weight of 399.45 g/mol. Its IUPAC name is 2-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]-N-(4-fluorophenyl)acetamide
PubChem CID9223309
Molecular FormulaC21H24FN4O3+
Molecular Weight399.45 g/mol
Exact Mass399.18
IUPAC Name2-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]-N-(4-fluorophenyl)acetamide
SMILESO=C(C[NH+]1CCN(C(=O)c2ccccc2)CC1)NCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C21H23FN4O3/c22-17-6-8-18(9-7-17)24-19(27)14-23-20(28)15-25-10-12-26(13-11-25)21(29)16-4-2-1-3-5-16/h1-9H,10-15H2,(H,23,28)(H,24,27)/p+1
InChIKeySTUTYKPKTMKJKW-UHFFFAOYSA-O
XLogP-0.08
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-2-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]acetamide
CID 2697479
2-(4-benzoylpiperazin-1-ium-1-yl)-N-(4-chlorophenyl)acetamide
CID 9223569
N-(4-acetylphenyl)-2-(4-benzoylpiperazin-1-ium-1-yl)acetamide
CID 9223591
(E)-N-[2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-4-ium-1-yl]-2-oxoethyl]-3-phenylprop-2-enamide
CID 9022090
N-(4-fluorophenyl)-2-[4-(1H-indole-2-carbonyl)piperazin-1-ium-1-yl]acetamide
CID 9405101
2-[4-(3-fluoro-4-methoxybenzoyl)piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide
CID 8749252
2-(4-benzoylpiperazin-1-ium-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 9223114
2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(2-fluorophenyl)carbamoyl]acetamide
CID 9223401
2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide
CID 9022112
N-(3,4-difluorophenyl)-2-[[2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetyl]amino]acetamide
CID 8549406
2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(2R)-2-phenylpropyl]acetamide
CID 9223403
N-(4-chlorophenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]acetamide
CID 5061478

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]-N-(4-fluorophenyl)acetamide (CID 9223309) is 2-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]-N-(4-fluorophenyl)acetamide is O=C(C[NH+]1CCN(C(=O)c2ccccc2)CC1)NCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]-N-(4-fluorophenyl)acetamide?
The InChIKey is STUTYKPKTMKJKW-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H23FN4O3/c22-17-6-8-18(9-7-17)24-19(27)14-23-20(28)15-25-10-12-26(13-11-25)21(29)16-4-2-1-3-5-16/h1-9H,10-15H2,(H,23,28)(H,24,27)/p+1.
What are the key properties of 2-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]-N-(4-fluorophenyl)acetamide?
2-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]-N-(4-fluorophenyl)acetamide has a molecular weight of 399.45 g/mol, XLogP of -0.08, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 9223309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).