N-(4-fluorophenyl)-4-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperazine-1-carboxamide

C23H25F2N3O2 — CID 55599636

IUPACN-(4-fluorophenyl)-4-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCN(C(=O)C2(c3cccc(F)c3)CCCC2)CC1
InChIInChI=1S/C23H25F2N3O2/c24-18-6-8-20(9-7-18)26-22(30)28-14-12-27(13-15-28)21(29)23(10-1-2-11-23)17-4-3-5-19(25)16-17/h3-9,16H,1-2,10-15H2,(H,26,30)
InChIKeyXSXFHXOFDTUJCY-UHFFFAOYSA-N
MW413.47 g/mol
LogP4.15
Rot. Bonds3

About N-(4-fluorophenyl)-4-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperazine-1-carboxamide

N-(4-fluorophenyl)-4-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperazine-1-carboxamide (PubChem CID 55599636) has the molecular formula C23H25F2N3O2 and a molecular weight of 413.47 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperazine-1-carboxamide
PubChem CID55599636
Molecular FormulaC23H25F2N3O2
Molecular Weight413.47 g/mol
Exact Mass413.19
IUPAC NameN-(4-fluorophenyl)-4-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCN(C(=O)C2(c3cccc(F)c3)CCCC2)CC1
InChIInChI=1S/C23H25F2N3O2/c24-18-6-8-20(9-7-18)26-22(30)28-14-12-27(13-15-28)21(29)23(10-1-2-11-23)17-4-3-5-19(25)16-17/h3-9,16H,1-2,10-15H2,(H,26,30)
InChIKeyXSXFHXOFDTUJCY-UHFFFAOYSA-N
XLogP4.15
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-fluorophenyl)-2-[4-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperazin-1-yl]acetamide
CID 55369687
[1-(3-fluorophenyl)cyclopentyl]-(4-methylpiperazin-1-yl)methanone
CID 112759609
[1-(3-fluorophenyl)cyclopentyl]-morpholin-4-ylmethanone
CID 112762933
[1-(3-fluorophenyl)cyclopentyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 112763147
[4-(adamantane-1-carbonyl)piperazin-1-yl]-[1-(3-fluorophenyl)cyclobutyl]methanone
CID 55538682
[1-(3-fluorophenyl)cyclopentyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 55339053
(3,5-dimethylpiperidin-1-yl)-[1-(3-fluorophenyl)cyclopentyl]methanone
CID 55341968
[1-(3-fluorophenyl)cyclopentyl]-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 55341520
1-(3-fluorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)cyclopentane-1-carboxamide
CID 9453348
[1-(3-fluorophenyl)cyclobutyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 71938226
[1-(3-fluorophenyl)cyclobutyl]-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95606984
[1-(3-fluorophenyl)cyclobutyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119576490

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperazine-1-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-4-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperazine-1-carboxamide (CID 55599636) is N-(4-fluorophenyl)-4-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperazine-1-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-4-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperazine-1-carboxamide is O=C(Nc1ccc(F)cc1)N1CCN(C(=O)C2(c3cccc(F)c3)CCCC2)CC1.
What is the InChIKey of N-(4-fluorophenyl)-4-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperazine-1-carboxamide?
The InChIKey is XSXFHXOFDTUJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N3O2/c24-18-6-8-20(9-7-18)26-22(30)28-14-12-27(13-15-28)21(29)23(10-1-2-11-23)17-4-3-5-19(25)16-17/h3-9,16H,1-2,10-15H2,(H,26,30).
What are the key properties of N-(4-fluorophenyl)-4-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperazine-1-carboxamide?
N-(4-fluorophenyl)-4-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperazine-1-carboxamide has a molecular weight of 413.47 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperazine-1-carboxamide is sourced from PubChem (CID 55599636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).