N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(1-phenylethyl)acetamide

C23H28FN3O2 — CID 113118944

IUPACN-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(1-phenylethyl)acetamide
SMILESCC(=O)N(CCC(=O)N1CCN(c2ccc(F)cc2)CC1)C(C)c1ccccc1
InChIInChI=1S/C23H28FN3O2/c1-18(20-6-4-3-5-7-20)27(19(2)28)13-12-23(29)26-16-14-25(15-17-26)22-10-8-21(24)9-11-22/h3-11,18H,12-17H2,1-2H3
InChIKeyTYDZCKUOOAHVBX-UHFFFAOYSA-N
MW397.49 g/mol
LogP3.47
Rot. Bonds6

About N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(1-phenylethyl)acetamide

N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(1-phenylethyl)acetamide (PubChem CID 113118944) has the molecular formula C23H28FN3O2 and a molecular weight of 397.49 g/mol. Its IUPAC name is N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound NameN-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(1-phenylethyl)acetamide
PubChem CID113118944
Molecular FormulaC23H28FN3O2
Molecular Weight397.49 g/mol
Exact Mass397.22
IUPAC NameN-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(1-phenylethyl)acetamide
SMILESCC(=O)N(CCC(=O)N1CCN(c2ccc(F)cc2)CC1)C(C)c1ccccc1
InChIInChI=1S/C23H28FN3O2/c1-18(20-6-4-3-5-7-20)27(19(2)28)13-12-23(29)26-16-14-25(15-17-26)22-10-8-21(24)9-11-22/h3-11,18H,12-17H2,1-2H3
InChIKeyTYDZCKUOOAHVBX-UHFFFAOYSA-N
XLogP3.47
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(1-phenylethyl)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-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(1-phenylethyl)acetamide
CID 113118954
N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-N-(1-phenylethyl)acetamide
CID 113118911
3-[benzyl(propan-2-yl)amino]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109027223
N-(2-cyanophenyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 113134705
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-one
CID 110839307
N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-N-(4-propan-2-ylphenyl)acetamide
CID 113125862
N-(4-ethylphenyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 113125379
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-propan-2-ylacetamide
CID 113115179
3-[methyl(1-phenylethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980467
N-methyl-2-oxo-N-(1-phenylethyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 119035022
N-(4-cyanophenyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 113135063
N-(2-chlorophenyl)-2-[[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-methylamino]acetamide
CID 34209125

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(1-phenylethyl)acetamide?
The IUPAC name of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(1-phenylethyl)acetamide (CID 113118944) is N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(1-phenylethyl)acetamide?
The canonical SMILES for N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(1-phenylethyl)acetamide is CC(=O)N(CCC(=O)N1CCN(c2ccc(F)cc2)CC1)C(C)c1ccccc1.
What is the InChIKey of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(1-phenylethyl)acetamide?
The InChIKey is TYDZCKUOOAHVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O2/c1-18(20-6-4-3-5-7-20)27(19(2)28)13-12-23(29)26-16-14-25(15-17-26)22-10-8-21(24)9-11-22/h3-11,18H,12-17H2,1-2H3.
What are the key properties of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(1-phenylethyl)acetamide?
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(1-phenylethyl)acetamide has a molecular weight of 397.49 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 113118944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).