N-(4-fluorophenyl)-2-[4-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperazin-1-yl]acetamide

C24H27F2N3O2 — CID 55369687

IUPACN-(4-fluorophenyl)-2-[4-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)C2(c3cccc(F)c3)CCCC2)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C24H27F2N3O2/c25-19-6-8-21(9-7-19)27-22(30)17-28-12-14-29(15-13-28)23(31)24(10-1-2-11-24)18-4-3-5-20(26)16-18/h3-9,16H,1-2,10-15,17H2,(H,27,30)
InChIKeyWINGTGKZYDPLCV-UHFFFAOYSA-N
MW427.50 g/mol
LogP3.56
Rot. Bonds5

About N-(4-fluorophenyl)-2-[4-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperazin-1-yl]acetamide

N-(4-fluorophenyl)-2-[4-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperazin-1-yl]acetamide (PubChem CID 55369687) has the molecular formula C24H27F2N3O2 and a molecular weight of 427.50 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[4-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[4-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperazin-1-yl]acetamide
PubChem CID55369687
Molecular FormulaC24H27F2N3O2
Molecular Weight427.50 g/mol
Exact Mass427.21
IUPAC NameN-(4-fluorophenyl)-2-[4-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)C2(c3cccc(F)c3)CCCC2)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C24H27F2N3O2/c25-19-6-8-21(9-7-19)27-22(30)17-28-12-14-29(15-13-28)23(31)24(10-1-2-11-24)18-4-3-5-20(26)16-18/h3-9,16H,1-2,10-15,17H2,(H,27,30)
InChIKeyWINGTGKZYDPLCV-UHFFFAOYSA-N
XLogP3.56
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-4-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperazine-1-carboxamide
CID 55599636
2-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 119833340
[1-(3-fluorophenyl)cyclopentyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 55339053
[1-(3-fluorophenyl)cyclobutyl]-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95606984
[1-(3-fluorophenyl)cyclopentyl]-morpholin-4-ylmethanone
CID 112762933
[2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 55473068
[1-(3-fluorophenyl)cyclopentyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 112763147
2-(4-acetyl-4-phenylpiperidin-1-yl)-N-(4-fluorophenyl)acetamide
CID 42859146
2-[4-[1-(3-chlorophenyl)cyclopentanecarbonyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 39279831
4-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide
CID 17397265
[4-(adamantane-1-carbonyl)piperazin-1-yl]-[1-(3-fluorophenyl)cyclobutyl]methanone
CID 55538682
N-(3-fluorophenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]acetamide
CID 9020103

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[4-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[4-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperazin-1-yl]acetamide (CID 55369687) is N-(4-fluorophenyl)-2-[4-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[4-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[4-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperazin-1-yl]acetamide is O=C(CN1CCN(C(=O)C2(c3cccc(F)c3)CCCC2)CC1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[4-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperazin-1-yl]acetamide?
The InChIKey is WINGTGKZYDPLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N3O2/c25-19-6-8-21(9-7-19)27-22(30)17-28-12-14-29(15-13-28)23(31)24(10-1-2-11-24)18-4-3-5-20(26)16-18/h3-9,16H,1-2,10-15,17H2,(H,27,30).
What are the key properties of N-(4-fluorophenyl)-2-[4-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperazin-1-yl]acetamide?
N-(4-fluorophenyl)-2-[4-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperazin-1-yl]acetamide has a molecular weight of 427.50 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[4-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 55369687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).