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

C20H22FN4O3+ — CID 9223401

IUPAC2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(2-fluorophenyl)carbamoyl]acetamide
SMILESO=C(C[NH+]1CCN(C(=O)c2ccccc2)CC1)NC(=O)Nc1ccccc1F
InChIInChI=1S/C20H21FN4O3/c21-16-8-4-5-9-17(16)22-20(28)23-18(26)14-24-10-12-25(13-11-24)19(27)15-6-2-1-3-7-15/h1-9H,10-14H2,(H2,22,23,26,28)/p+1
InChIKeyNESPHHMJMWKDIC-UHFFFAOYSA-O
MW385.42 g/mol
LogP0.51
Rot. Bonds4

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

2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(2-fluorophenyl)carbamoyl]acetamide (PubChem CID 9223401) has the molecular formula C20H22FN4O3+ and a molecular weight of 385.42 g/mol. Its IUPAC name is 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(2-fluorophenyl)carbamoyl]acetamide.

Molecular Properties

Compound Name2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(2-fluorophenyl)carbamoyl]acetamide
PubChem CID9223401
Molecular FormulaC20H22FN4O3+
Molecular Weight385.42 g/mol
Exact Mass385.17
IUPAC Name2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(2-fluorophenyl)carbamoyl]acetamide
SMILESO=C(C[NH+]1CCN(C(=O)c2ccccc2)CC1)NC(=O)Nc1ccccc1F
InChIInChI=1S/C20H21FN4O3/c21-16-8-4-5-9-17(16)22-20(28)23-18(26)14-24-10-12-25(13-11-24)19(27)15-6-2-1-3-7-15/h1-9H,10-14H2,(H2,22,23,26,28)/p+1
InChIKeyNESPHHMJMWKDIC-UHFFFAOYSA-O
XLogP0.51
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-fluorophenyl)acetamide
CID 8904357
2-[4-(2,6-difluorobenzoyl)piperazin-1-ium-1-yl]-N-(2-fluorophenyl)acetamide
CID 5072019
2-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]-N-[(2-fluorophenyl)carbamoyl]acetamide
CID 8591211
2-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 9223309
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
2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2,4-dimethylphenyl)acetamide
CID 9223547
2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(2S)-butan-2-yl]acetamide
CID 9223695
2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9429578
2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 9223633
2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 8597441
(2S)-2-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]-N-ethylpropanamide
CID 8597347

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(2-fluorophenyl)carbamoyl]acetamide?
The IUPAC name of 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(2-fluorophenyl)carbamoyl]acetamide (CID 9223401) is 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(2-fluorophenyl)carbamoyl]acetamide.
What is the SMILES notation for 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(2-fluorophenyl)carbamoyl]acetamide?
The canonical SMILES for 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(2-fluorophenyl)carbamoyl]acetamide is O=C(C[NH+]1CCN(C(=O)c2ccccc2)CC1)NC(=O)Nc1ccccc1F.
What is the InChIKey of 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(2-fluorophenyl)carbamoyl]acetamide?
The InChIKey is NESPHHMJMWKDIC-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H21FN4O3/c21-16-8-4-5-9-17(16)22-20(28)23-18(26)14-24-10-12-25(13-11-24)19(27)15-6-2-1-3-7-15/h1-9H,10-14H2,(H2,22,23,26,28)/p+1.
What are the key properties of 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(2-fluorophenyl)carbamoyl]acetamide?
2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(2-fluorophenyl)carbamoyl]acetamide has a molecular weight of 385.42 g/mol, XLogP of 0.51, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(2-fluorophenyl)carbamoyl]acetamide is sourced from PubChem (CID 9223401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).