2-[2-(4-fluorophenyl)-5-oxocyclopenten-1-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide

C24H26FN3O2 — CID 155987745

IUPAC2-[2-(4-fluorophenyl)-5-oxocyclopenten-1-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCN1CCN(c2ccc(NC(=O)CC3=C(c4ccc(F)cc4)CCC3=O)cc2)CC1
InChIInChI=1S/C24H26FN3O2/c1-27-12-14-28(15-13-27)20-8-6-19(7-9-20)26-24(30)16-22-21(10-11-23(22)29)17-2-4-18(25)5-3-17/h2-9H,10-16H2,1H3,(H,26,30)
InChIKeyRDLVBQANJKMRIA-UHFFFAOYSA-N
MW407.49 g/mol
LogP3.72
Rot. Bonds5

About 2-[2-(4-fluorophenyl)-5-oxocyclopenten-1-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide

2-[2-(4-fluorophenyl)-5-oxocyclopenten-1-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide (PubChem CID 155987745) has the molecular formula C24H26FN3O2 and a molecular weight of 407.49 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-5-oxocyclopenten-1-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-5-oxocyclopenten-1-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
PubChem CID155987745
Molecular FormulaC24H26FN3O2
Molecular Weight407.49 g/mol
Exact Mass407.20
IUPAC Name2-[2-(4-fluorophenyl)-5-oxocyclopenten-1-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCN1CCN(c2ccc(NC(=O)CC3=C(c4ccc(F)cc4)CCC3=O)cc2)CC1
InChIInChI=1S/C24H26FN3O2/c1-27-12-14-28(15-13-27)20-8-6-19(7-9-20)26-24(30)16-22-21(10-11-23(22)29)17-2-4-18(25)5-3-17/h2-9H,10-16H2,1H3,(H,26,30)
InChIKeyRDLVBQANJKMRIA-UHFFFAOYSA-N
XLogP3.72
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 53.72
H-Bond Donors ≤ 51
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

1-N-(4-fluorophenyl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109142764
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110409810
2-hydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 83768240
2-(4-fluorophenyl)-N-[4-(4-phenylpiperazin-1-yl)phenyl]acetamide
CID 112983945
N-[2-(4-fluorophenyl)ethyl]-N'-[4-(4-methylpiperazin-1-yl)phenyl]propanediamide
CID 108948472
2-(4-chlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 2228389
2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 3366608
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 110700131
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 53279235
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 7744758
2-(1H-imidazol-5-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 110684204
1-[2-(4-fluorophenyl)ethyl]-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 108902143

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-5-oxocyclopenten-1-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The IUPAC name of 2-[2-(4-fluorophenyl)-5-oxocyclopenten-1-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide (CID 155987745) is 2-[2-(4-fluorophenyl)-5-oxocyclopenten-1-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-5-oxocyclopenten-1-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-[2-(4-fluorophenyl)-5-oxocyclopenten-1-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide is CN1CCN(c2ccc(NC(=O)CC3=C(c4ccc(F)cc4)CCC3=O)cc2)CC1.
What is the InChIKey of 2-[2-(4-fluorophenyl)-5-oxocyclopenten-1-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is RDLVBQANJKMRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O2/c1-27-12-14-28(15-13-27)20-8-6-19(7-9-20)26-24(30)16-22-21(10-11-23(22)29)17-2-4-18(25)5-3-17/h2-9H,10-16H2,1H3,(H,26,30).
What are the key properties of 2-[2-(4-fluorophenyl)-5-oxocyclopenten-1-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
2-[2-(4-fluorophenyl)-5-oxocyclopenten-1-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 407.49 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-5-oxocyclopenten-1-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 155987745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).