N-[1-(4-fluorophenyl)-3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxopropyl]acetamide

C22H26FN3O2 — CID 46957784

IUPACN-[1-(4-fluorophenyl)-3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxopropyl]acetamide
SMILESCC(=O)NC(CC(=O)N1CCN(C)CC1c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C22H26FN3O2/c1-16(27)24-20(17-8-10-19(23)11-9-17)14-22(28)26-13-12-25(2)15-21(26)18-6-4-3-5-7-18/h3-11,20-21H,12-15H2,1-2H3,(H,24,27)
InChIKeyCNFHZOOCOZCMJO-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.91
Rot. Bonds5

About N-[1-(4-fluorophenyl)-3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxopropyl]acetamide

N-[1-(4-fluorophenyl)-3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxopropyl]acetamide (PubChem CID 46957784) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxopropyl]acetamide
PubChem CID46957784
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC NameN-[1-(4-fluorophenyl)-3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxopropyl]acetamide
SMILESCC(=O)NC(CC(=O)N1CCN(C)CC1c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C22H26FN3O2/c1-16(27)24-20(17-8-10-19(23)11-9-17)14-22(28)26-13-12-25(2)15-21(26)18-6-4-3-5-7-18/h3-11,20-21H,12-15H2,1-2H3,(H,24,27)
InChIKeyCNFHZOOCOZCMJO-UHFFFAOYSA-N
XLogP2.91
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(4-fluorophenyl)-3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxopropyl]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-[1-(4-chlorophenyl)-3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxopropyl]acetamide
CID 42931935
N-[3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]acetamide
CID 42931938
N-[(1R)-1-(4-fluorophenyl)-3-oxo-3-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propyl]acetamide
CID 51583370
N-[(2R)-4-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-4-oxobutan-2-yl]benzamide
CID 124816393
(2S)-2-(dimethylamino)-2-(4-fluorophenyl)-1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]ethanone
CID 124810619
(4-fluorophenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37332392
[(1R)-1-(2-chlorophenyl)-3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]-3-oxopropyl]urea
CID 98684646
N-[(1R)-3-[(2R)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-1-(4-fluorophenyl)-3-oxopropyl]acetamide
CID 92558611
N-[3-(4-methylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide
CID 78773774
2-(2-fluorophenyl)-1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]ethanone
CID 38169510
1-(2,4-difluorophenyl)-4-(4-methyl-2-phenylpiperazin-1-yl)butane-1,4-dione
CID 71891108
2-methoxy-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one
CID 112685654

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxopropyl]acetamide?
The IUPAC name of N-[1-(4-fluorophenyl)-3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxopropyl]acetamide (CID 46957784) is N-[1-(4-fluorophenyl)-3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxopropyl]acetamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxopropyl]acetamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxopropyl]acetamide is CC(=O)NC(CC(=O)N1CCN(C)CC1c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)-3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxopropyl]acetamide?
The InChIKey is CNFHZOOCOZCMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O2/c1-16(27)24-20(17-8-10-19(23)11-9-17)14-22(28)26-13-12-25(2)15-21(26)18-6-4-3-5-7-18/h3-11,20-21H,12-15H2,1-2H3,(H,24,27).
What are the key properties of N-[1-(4-fluorophenyl)-3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxopropyl]acetamide?
N-[1-(4-fluorophenyl)-3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxopropyl]acetamide has a molecular weight of 383.47 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxopropyl]acetamide is sourced from PubChem (CID 46957784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).