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

C20H24FN4O2+ — CID 2697479

IUPACN-(4-fluorophenyl)-2-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]acetamide
SMILESO=C(C[NH+]1CCN(c2ccccc2)CC1)NCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C20H23FN4O2/c21-16-6-8-17(9-7-16)23-19(26)14-22-20(27)15-24-10-12-25(13-11-24)18-4-2-1-3-5-18/h1-9H,10-15H2,(H,22,27)(H,23,26)/p+1
InChIKeyZTYLFXVMZUVXQB-UHFFFAOYSA-O
MW371.44 g/mol
LogP0.29
Rot. Bonds6

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

N-(4-fluorophenyl)-2-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]acetamide (PubChem CID 2697479) has the molecular formula C20H24FN4O2+ and a molecular weight of 371.44 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]acetamide
PubChem CID2697479
Molecular FormulaC20H24FN4O2+
Molecular Weight371.44 g/mol
Exact Mass371.19
IUPAC NameN-(4-fluorophenyl)-2-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]acetamide
SMILESO=C(C[NH+]1CCN(c2ccccc2)CC1)NCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C20H23FN4O2/c21-16-6-8-17(9-7-16)23-19(26)14-22-20(27)15-24-10-12-25(13-11-24)18-4-2-1-3-5-18/h1-9H,10-15H2,(H,22,27)(H,23,26)/p+1
InChIKeyZTYLFXVMZUVXQB-UHFFFAOYSA-O
XLogP0.29
TPSA65.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 9223309
N-(4-fluorophenyl)-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]acetamide
CID 2697480
N-(4-acetamidophenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide
CID 8704189
2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 2478164
2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 6978065
N'-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetyl]benzohydrazide
CID 8703830
2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-[(2S)-2-phenylpropyl]acetamide
CID 8704079
N-(4-bromo-3-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide
CID 6979251
N-(3,5-dichlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide
CID 6958471
2-(4-fluorophenyl)-N-[4-(4-phenylpiperazin-1-yl)phenyl]acetamide
CID 112983945
N-[3,5-bis(trifluoromethyl)phenyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
CID 6974857
2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2-phenylethyl)acetamide
CID 9435923

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]acetamide (CID 2697479) is N-(4-fluorophenyl)-2-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]acetamide is O=C(C[NH+]1CCN(c2ccccc2)CC1)NCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]acetamide?
The InChIKey is ZTYLFXVMZUVXQB-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H23FN4O2/c21-16-6-8-17(9-7-16)23-19(26)14-22-20(27)15-24-10-12-25(13-11-24)18-4-2-1-3-5-18/h1-9H,10-15H2,(H,22,27)(H,23,26)/p+1.
What are the key properties of N-(4-fluorophenyl)-2-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]acetamide?
N-(4-fluorophenyl)-2-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]acetamide has a molecular weight of 371.44 g/mol, XLogP of 0.29, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]acetamide is sourced from PubChem (CID 2697479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).