N-(3-fluorophenyl)-2-[4-(4-phenoxybutanoyl)piperazin-1-yl]acetamide

C22H26FN3O3 — CID 9020203

IUPACN-(3-fluorophenyl)-2-[4-(4-phenoxybutanoyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)CCCOc2ccccc2)CC1)Nc1cccc(F)c1
InChIInChI=1S/C22H26FN3O3/c23-18-6-4-7-19(16-18)24-21(27)17-25-11-13-26(14-12-25)22(28)10-5-15-29-20-8-2-1-3-9-20/h1-4,6-9,16H,5,10-15,17H2,(H,24,27)
InChIKeyRLDWPYTWFOPYHP-UHFFFAOYSA-N
MW399.47 g/mol
LogP2.77
Rot. Bonds8

About N-(3-fluorophenyl)-2-[4-(4-phenoxybutanoyl)piperazin-1-yl]acetamide

N-(3-fluorophenyl)-2-[4-(4-phenoxybutanoyl)piperazin-1-yl]acetamide (PubChem CID 9020203) has the molecular formula C22H26FN3O3 and a molecular weight of 399.47 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[4-(4-phenoxybutanoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[4-(4-phenoxybutanoyl)piperazin-1-yl]acetamide
PubChem CID9020203
Molecular FormulaC22H26FN3O3
Molecular Weight399.47 g/mol
Exact Mass399.20
IUPAC NameN-(3-fluorophenyl)-2-[4-(4-phenoxybutanoyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)CCCOc2ccccc2)CC1)Nc1cccc(F)c1
InChIInChI=1S/C22H26FN3O3/c23-18-6-4-7-19(16-18)24-21(27)17-25-11-13-26(14-12-25)22(28)10-5-15-29-20-8-2-1-3-9-20/h1-4,6-9,16H,5,10-15,17H2,(H,24,27)
InChIKeyRLDWPYTWFOPYHP-UHFFFAOYSA-N
XLogP2.77
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-fluorophenyl)-2-[4-(4-phenoxybutanoyl)piperazin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-fluorophenyl)-2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]acetamide
CID 9020277
2-[4-[2-(3-fluorophenoxy)ethyl]piperazin-1-yl]-N-phenylacetamide
CID 36947804
4-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide
CID 17397265
2-[4-[2-(4-ethylphenoxy)acetyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 9020191
N-(3-fluorophenyl)-2-[4-(4-thiophen-2-ylbutanoyl)piperazin-1-yl]acetamide
CID 9020329
N-(3-fluorophenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]acetamide
CID 8711189
N-(2-chlorophenyl)-2-[4-[4-(4-fluorophenoxy)butanoyl]piperazin-1-yl]acetamide
CID 37214098
N-(3-fluorophenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]acetamide
CID 9020103
ethyl 4-[2-(3-fluoroanilino)-2-oxoethyl]piperazine-1-carboxylate
CID 2654273
2-[4-(2-cyclopentylacetyl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 9020123
1-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-4-phenoxybutan-1-one
CID 108547017
N-(3-fluorophenyl)-2-[4-[2-(4-methylpiperidin-1-yl)acetyl]piperazin-1-yl]acetamide
CID 8558075

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[4-(4-phenoxybutanoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[4-(4-phenoxybutanoyl)piperazin-1-yl]acetamide (CID 9020203) is N-(3-fluorophenyl)-2-[4-(4-phenoxybutanoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[4-(4-phenoxybutanoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[4-(4-phenoxybutanoyl)piperazin-1-yl]acetamide is O=C(CN1CCN(C(=O)CCCOc2ccccc2)CC1)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-[4-(4-phenoxybutanoyl)piperazin-1-yl]acetamide?
The InChIKey is RLDWPYTWFOPYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O3/c23-18-6-4-7-19(16-18)24-21(27)17-25-11-13-26(14-12-25)22(28)10-5-15-29-20-8-2-1-3-9-20/h1-4,6-9,16H,5,10-15,17H2,(H,24,27).
What are the key properties of N-(3-fluorophenyl)-2-[4-(4-phenoxybutanoyl)piperazin-1-yl]acetamide?
N-(3-fluorophenyl)-2-[4-(4-phenoxybutanoyl)piperazin-1-yl]acetamide has a molecular weight of 399.47 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[4-(4-phenoxybutanoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 9020203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).