1-cyclopentyl-4-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]pyrrolidin-2-one

C22H26F3N3O3 — CID 46413405

IUPAC1-cyclopentyl-4-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]pyrrolidin-2-one
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCN(C(=O)C2CC(=O)N(C3CCCC3)C2)CC1
InChIInChI=1S/C22H26F3N3O3/c23-22(24,25)17-7-5-15(6-8-17)20(30)26-9-11-27(12-10-26)21(31)16-13-19(29)28(14-16)18-3-1-2-4-18/h5-8,16,18H,1-4,9-14H2
InChIKeyYJJUSUFWLGJMIN-UHFFFAOYSA-N
MW437.46 g/mol
LogP2.78
Rot. Bonds3

About 1-cyclopentyl-4-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]pyrrolidin-2-one

1-cyclopentyl-4-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 46413405) has the molecular formula C22H26F3N3O3 and a molecular weight of 437.46 g/mol. Its IUPAC name is 1-cyclopentyl-4-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-4-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID46413405
Molecular FormulaC22H26F3N3O3
Molecular Weight437.46 g/mol
Exact Mass437.19
IUPAC Name1-cyclopentyl-4-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]pyrrolidin-2-one
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCN(C(=O)C2CC(=O)N(C3CCCC3)C2)CC1
InChIInChI=1S/C22H26F3N3O3/c23-22(24,25)17-7-5-15(6-8-17)20(30)26-9-11-27(12-10-26)21(31)16-13-19(29)28(14-16)18-3-1-2-4-18/h5-8,16,18H,1-4,9-14H2
InChIKeyYJJUSUFWLGJMIN-UHFFFAOYSA-N
XLogP2.78
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.46
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-(4-benzoylpiperazine-1-carbonyl)-1-cyclopentylpyrrolidin-2-one
CID 51565669
1-cyclopropyl-4-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 110346139
1-tert-butyl-4-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 108535476
cyclopentyl-[4-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl]methanone
CID 110797847
(4-cyclopentylpiperazin-1-yl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
CID 55584059
(4-cycloheptylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 113074934
azepan-1-yl-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
CID 55408385
(4S)-1-cyclopentyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9364634
(4R)-1-cyclopentyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9364632
(4-pyrrolidin-1-ylpiperidin-1-yl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
CID 56550837
1-cyclohexyl-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 110423369
1-cyclohexyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 4251317

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-cyclopentyl-4-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]pyrrolidin-2-one (CID 46413405) is 1-cyclopentyl-4-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-cyclopentyl-4-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-cyclopentyl-4-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]pyrrolidin-2-one is O=C(c1ccc(C(F)(F)F)cc1)N1CCN(C(=O)C2CC(=O)N(C3CCCC3)C2)CC1.
What is the InChIKey of 1-cyclopentyl-4-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is YJJUSUFWLGJMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N3O3/c23-22(24,25)17-7-5-15(6-8-17)20(30)26-9-11-27(12-10-26)21(31)16-13-19(29)28(14-16)18-3-1-2-4-18/h5-8,16,18H,1-4,9-14H2.
What are the key properties of 1-cyclopentyl-4-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]pyrrolidin-2-one?
1-cyclopentyl-4-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 437.46 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 46413405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).