2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3-fluorophenyl)methyl]acetamide

C22H26FN3O3 — CID 45185305

IUPAC2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3-fluorophenyl)methyl]acetamide
SMILESCCOc1ccc(CN2CCNC(=O)C2CC(=O)NCc2cccc(F)c2)cc1
InChIInChI=1S/C22H26FN3O3/c1-2-29-19-8-6-16(7-9-19)15-26-11-10-24-22(28)20(26)13-21(27)25-14-17-4-3-5-18(23)12-17/h3-9,12,20H,2,10-11,13-15H2,1H3,(H,24,28)(H,25,27)
InChIKeyAAEYJUBZEVKNIV-UHFFFAOYSA-N
MW399.47 g/mol
LogP2.23
Rot. Bonds8

About 2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3-fluorophenyl)methyl]acetamide

2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3-fluorophenyl)methyl]acetamide (PubChem CID 45185305) has the molecular formula C22H26FN3O3 and a molecular weight of 399.47 g/mol. Its IUPAC name is 2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3-fluorophenyl)methyl]acetamide
PubChem CID45185305
Molecular FormulaC22H26FN3O3
Molecular Weight399.47 g/mol
Exact Mass399.20
IUPAC Name2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3-fluorophenyl)methyl]acetamide
SMILESCCOc1ccc(CN2CCNC(=O)C2CC(=O)NCc2cccc(F)c2)cc1
InChIInChI=1S/C22H26FN3O3/c1-2-29-19-8-6-16(7-9-19)15-26-11-10-24-22(28)20(26)13-21(27)25-14-17-4-3-5-18(23)12-17/h3-9,12,20H,2,10-11,13-15H2,1H3,(H,24,28)(H,25,27)
InChIKeyAAEYJUBZEVKNIV-UHFFFAOYSA-N
XLogP2.23
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3-fluorophenyl)methyl]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

2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 45210149
2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 45233956
2-[1-[(4-chloro-3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 45186168
N-[2-(3-fluorophenyl)ethyl]-2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 45249769
N-cyclopropyl-2-[(2S)-1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 95708991
N-cyclopropyl-2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 56884569
2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(3-methoxypropyl)acetamide
CID 45251521
methyl 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetate
CID 952254
2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 45249434
2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyridin-3-yloxyethyl)acetamide
CID 42095722
N-[2-(dimethylamino)ethyl]-2-[(2S)-1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 95725614
2-[(2S)-1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3-methyl-4-pyridinyl)methyl]acetamide
CID 26394507

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3-fluorophenyl)methyl]acetamide (CID 45185305) is 2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3-fluorophenyl)methyl]acetamide is CCOc1ccc(CN2CCNC(=O)C2CC(=O)NCc2cccc(F)c2)cc1.
What is the InChIKey of 2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3-fluorophenyl)methyl]acetamide?
The InChIKey is AAEYJUBZEVKNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O3/c1-2-29-19-8-6-16(7-9-19)15-26-11-10-24-22(28)20(26)13-21(27)25-14-17-4-3-5-18(23)12-17/h3-9,12,20H,2,10-11,13-15H2,1H3,(H,24,28)(H,25,27).
What are the key properties of 2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3-fluorophenyl)methyl]acetamide?
2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3-fluorophenyl)methyl]acetamide has a molecular weight of 399.47 g/mol, XLogP of 2.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 45185305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).