N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-(4-fluorophenyl)butanamide

C22H26FN3O2 — CID 110406316

IUPACN-[4-(4-acetylpiperazin-1-yl)phenyl]-4-(4-fluorophenyl)butanamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)CCCc3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C22H26FN3O2/c1-17(27)25-13-15-26(16-14-25)21-11-9-20(10-12-21)24-22(28)4-2-3-18-5-7-19(23)8-6-18/h5-12H,2-4,13-16H2,1H3,(H,24,28)
InChIKeyZTZUCIFEXICSJG-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.46
Rot. Bonds6

About N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-(4-fluorophenyl)butanamide

N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-(4-fluorophenyl)butanamide (PubChem CID 110406316) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-(4-fluorophenyl)butanamide.

Molecular Properties

Compound NameN-[4-(4-acetylpiperazin-1-yl)phenyl]-4-(4-fluorophenyl)butanamide
PubChem CID110406316
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC NameN-[4-(4-acetylpiperazin-1-yl)phenyl]-4-(4-fluorophenyl)butanamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)CCCc3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C22H26FN3O2/c1-17(27)25-13-15-26(16-14-25)21-11-9-20(10-12-21)24-22(28)4-2-3-18-5-7-19(23)8-6-18/h5-12H,2-4,13-16H2,1H3,(H,24,28)
InChIKeyZTZUCIFEXICSJG-UHFFFAOYSA-N
XLogP3.46
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-(4-methylphenyl)propanamide
CID 110615118
N-(4-fluorophenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-5-oxopentanamide
CID 7329126
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(4-fluorophenoxy)acetamide
CID 110673105
N-[4-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]phenyl]acetamide
CID 5041262
N-[4-(4-acetylpiperazin-1-yl)phenyl]propanamide
CID 711710
N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-2-(4-fluorophenyl)acetamide
CID 112502808
N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-(2-methylphenyl)propanamide
CID 110673094
N-[2-(4-acetamidoanilino)-2-oxoethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 56762711
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
N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-(3-methylphenyl)propanamide
CID 110673093
N-[4-(4-acetylpiperazin-1-yl)phenyl]acetamide
CID 2889550

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-(4-fluorophenyl)butanamide?
The IUPAC name of N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-(4-fluorophenyl)butanamide (CID 110406316) is N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-(4-fluorophenyl)butanamide.
What is the SMILES notation for N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-(4-fluorophenyl)butanamide?
The canonical SMILES for N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-(4-fluorophenyl)butanamide is CC(=O)N1CCN(c2ccc(NC(=O)CCCc3ccc(F)cc3)cc2)CC1.
What is the InChIKey of N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-(4-fluorophenyl)butanamide?
The InChIKey is ZTZUCIFEXICSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O2/c1-17(27)25-13-15-26(16-14-25)21-11-9-20(10-12-21)24-22(28)4-2-3-18-5-7-19(23)8-6-18/h5-12H,2-4,13-16H2,1H3,(H,24,28).
What are the key properties of N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-(4-fluorophenyl)butanamide?
N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-(4-fluorophenyl)butanamide has a molecular weight of 383.47 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-(4-fluorophenyl)butanamide is sourced from PubChem (CID 110406316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).