2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide

C22H28FN4O2+ — CID 2478164

IUPAC2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESO=C(C[NH+]1CCN(c2ccc(F)cc2)CC1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H27FN4O2/c23-18-1-5-20(6-2-18)26-11-9-25(10-12-26)17-22(28)24-19-3-7-21(8-4-19)27-13-15-29-16-14-27/h1-8H,9-17H2,(H,24,28)/p+1
InChIKeyXKSRPXRKCRZPIY-UHFFFAOYSA-O
MW399.49 g/mol
LogP1.01
Rot. Bonds5

About 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide

2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 2478164) has the molecular formula C22H28FN4O2+ and a molecular weight of 399.49 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID2478164
Molecular FormulaC22H28FN4O2+
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC Name2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESO=C(C[NH+]1CCN(c2ccc(F)cc2)CC1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H27FN4O2/c23-18-1-5-20(6-2-18)26-11-9-25(10-12-26)17-22(28)24-19-3-7-21(8-4-19)27-13-15-29-16-14-27/h1-8H,9-17H2,(H,24,28)/p+1
InChIKeyXKSRPXRKCRZPIY-UHFFFAOYSA-O
XLogP1.01
TPSA49.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

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-propan-2-ylphenyl)acetamide
CID 6978065
N-(3,5-dichlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide
CID 6958471
N-(4-fluorophenyl)-2-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]acetamide
CID 2697479
1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide
CID 2400582
N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide
CID 7022975
N-(4-bromo-3-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide
CID 6979251
propyl 4-[[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetyl]amino]benzoate
CID 8703836
2-(4-fluorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
CID 2994341
N-(3-chloro-4-methoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide
CID 3703732
2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 2125724
N-(4-fluorophenyl)-2-[4-(4-morpholin-4-ylphenyl)cyclohexyl]acetamide
CID 121319959

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide (CID 2478164) is 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide is O=C(C[NH+]1CCN(c2ccc(F)cc2)CC1)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is XKSRPXRKCRZPIY-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H27FN4O2/c23-18-1-5-20(6-2-18)26-11-9-25(10-12-26)17-22(28)24-19-3-7-21(8-4-19)27-13-15-29-16-14-27/h1-8H,9-17H2,(H,24,28)/p+1.
What are the key properties of 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide?
2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 399.49 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 2478164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).