N-[2-(2-fluorophenyl)ethyl]-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide

C23H28FN3O2 — CID 24791545

IUPACN-[2-(2-fluorophenyl)ethyl]-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
SMILESO=C(CC1C(=O)NCCN1CCCc1ccccc1)NCCc1ccccc1F
InChIInChI=1S/C23H28FN3O2/c24-20-11-5-4-10-19(20)12-13-25-22(28)17-21-23(29)26-14-16-27(21)15-6-9-18-7-2-1-3-8-18/h1-5,7-8,10-11,21H,6,9,12-17H2,(H,25,28)(H,26,29)
InChIKeyBQYUKIZPKQZRBT-UHFFFAOYSA-N
MW397.49 g/mol
LogP2.31
Rot. Bonds9

About N-[2-(2-fluorophenyl)ethyl]-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide

N-[2-(2-fluorophenyl)ethyl]-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide (PubChem CID 24791545) has the molecular formula C23H28FN3O2 and a molecular weight of 397.49 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
PubChem CID24791545
Molecular FormulaC23H28FN3O2
Molecular Weight397.49 g/mol
Exact Mass397.22
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
SMILESO=C(CC1C(=O)NCCN1CCCc1ccccc1)NCCc1ccccc1F
InChIInChI=1S/C23H28FN3O2/c24-20-11-5-4-10-19(20)12-13-25-22(28)17-21-23(29)26-14-16-27(21)15-6-9-18-7-2-1-3-8-18/h1-5,7-8,10-11,21H,6,9,12-17H2,(H,25,28)(H,26,29)
InChIKeyBQYUKIZPKQZRBT-UHFFFAOYSA-N
XLogP2.31
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(2-fluorophenyl)ethyl]-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-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

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide (CID 24791545) is N-[2-(2-fluorophenyl)ethyl]-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide is O=C(CC1C(=O)NCCN1CCCc1ccccc1)NCCc1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide?
The InChIKey is BQYUKIZPKQZRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O2/c24-20-11-5-4-10-19(20)12-13-25-22(28)17-21-23(29)26-14-16-27(21)15-6-9-18-7-2-1-3-8-18/h1-5,7-8,10-11,21H,6,9,12-17H2,(H,25,28)(H,26,29).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide?
N-[2-(2-fluorophenyl)ethyl]-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide has a molecular weight of 397.49 g/mol, XLogP of 2.31, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide is sourced from PubChem (CID 24791545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).