N-(4-fluorophenyl)-2-[4-[2-[4-(3-oxobutyl)phenoxy]acetyl]piperazin-1-yl]acetamide

C24H28FN3O4 — CID 55733574

IUPACN-(4-fluorophenyl)-2-[4-[2-[4-(3-oxobutyl)phenoxy]acetyl]piperazin-1-yl]acetamide
SMILESCC(=O)CCc1ccc(OCC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C24H28FN3O4/c1-18(29)2-3-19-4-10-22(11-5-19)32-17-24(31)28-14-12-27(13-15-28)16-23(30)26-21-8-6-20(25)7-9-21/h4-11H,2-3,12-17H2,1H3,(H,26,30)
InChIKeyPGBHKABKNFIPEQ-UHFFFAOYSA-N
MW441.50 g/mol
LogP2.51
Rot. Bonds9

About N-(4-fluorophenyl)-2-[4-[2-[4-(3-oxobutyl)phenoxy]acetyl]piperazin-1-yl]acetamide

N-(4-fluorophenyl)-2-[4-[2-[4-(3-oxobutyl)phenoxy]acetyl]piperazin-1-yl]acetamide (PubChem CID 55733574) has the molecular formula C24H28FN3O4 and a molecular weight of 441.50 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[4-[2-[4-(3-oxobutyl)phenoxy]acetyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[4-[2-[4-(3-oxobutyl)phenoxy]acetyl]piperazin-1-yl]acetamide
PubChem CID55733574
Molecular FormulaC24H28FN3O4
Molecular Weight441.50 g/mol
Exact Mass441.21
IUPAC NameN-(4-fluorophenyl)-2-[4-[2-[4-(3-oxobutyl)phenoxy]acetyl]piperazin-1-yl]acetamide
SMILESCC(=O)CCc1ccc(OCC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C24H28FN3O4/c1-18(29)2-3-19-4-10-22(11-5-19)32-17-24(31)28-14-12-27(13-15-28)16-23(30)26-21-8-6-20(25)7-9-21/h4-11H,2-3,12-17H2,1H3,(H,26,30)
InChIKeyPGBHKABKNFIPEQ-UHFFFAOYSA-N
XLogP2.51
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.50
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-(4-acetylphenoxy)acetyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 9022019
2-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 9021981
2-[4-[2-(3,4-dichlorophenoxy)acetyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 30749852
2-[4-[2-(4-ethylphenoxy)acetyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 9020191
2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 78896792
N-(3-fluorophenyl)-2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]acetamide
CID 9020277
2-[4-[[2-[4-(3-oxobutyl)phenoxy]acetyl]amino]piperidin-1-yl]-N-phenylacetamide
CID 55524217
1-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]butan-1-one
CID 110817306
1-(4-fluorophenyl)-2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 110358975
2-[4-[3-(2-ethoxyphenyl)propanoyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 8749262
3-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide
CID 78896184
N-(4-ethoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 988165

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[4-[2-[4-(3-oxobutyl)phenoxy]acetyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[4-[2-[4-(3-oxobutyl)phenoxy]acetyl]piperazin-1-yl]acetamide (CID 55733574) is N-(4-fluorophenyl)-2-[4-[2-[4-(3-oxobutyl)phenoxy]acetyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[4-[2-[4-(3-oxobutyl)phenoxy]acetyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[4-[2-[4-(3-oxobutyl)phenoxy]acetyl]piperazin-1-yl]acetamide is CC(=O)CCc1ccc(OCC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[4-[2-[4-(3-oxobutyl)phenoxy]acetyl]piperazin-1-yl]acetamide?
The InChIKey is PGBHKABKNFIPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O4/c1-18(29)2-3-19-4-10-22(11-5-19)32-17-24(31)28-14-12-27(13-15-28)16-23(30)26-21-8-6-20(25)7-9-21/h4-11H,2-3,12-17H2,1H3,(H,26,30).
What are the key properties of N-(4-fluorophenyl)-2-[4-[2-[4-(3-oxobutyl)phenoxy]acetyl]piperazin-1-yl]acetamide?
N-(4-fluorophenyl)-2-[4-[2-[4-(3-oxobutyl)phenoxy]acetyl]piperazin-1-yl]acetamide has a molecular weight of 441.50 g/mol, XLogP of 2.51, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[4-[2-[4-(3-oxobutyl)phenoxy]acetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 55733574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).