4-[4-(4-hydroxybenzoyl)piperidine-1-carbonyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one

C24H23F3N2O4 — CID 42936807

IUPAC4-[4-(4-hydroxybenzoyl)piperidine-1-carbonyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESO=C(c1ccc(O)cc1)C1CCN(C(=O)C2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)CC1
InChIInChI=1S/C24H23F3N2O4/c25-24(26,27)18-2-1-3-19(13-18)29-14-17(12-21(29)31)23(33)28-10-8-16(9-11-28)22(32)15-4-6-20(30)7-5-15/h1-7,13,16-17,30H,8-12,14H2
InChIKeyNCYGQTSGTPPSDI-UHFFFAOYSA-N
MW460.45 g/mol
LogP3.89
Rot. Bonds4

About 4-[4-(4-hydroxybenzoyl)piperidine-1-carbonyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one

4-[4-(4-hydroxybenzoyl)piperidine-1-carbonyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one (PubChem CID 42936807) has the molecular formula C24H23F3N2O4 and a molecular weight of 460.45 g/mol. Its IUPAC name is 4-[4-(4-hydroxybenzoyl)piperidine-1-carbonyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-(4-hydroxybenzoyl)piperidine-1-carbonyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
PubChem CID42936807
Molecular FormulaC24H23F3N2O4
Molecular Weight460.45 g/mol
Exact Mass460.16
IUPAC Name4-[4-(4-hydroxybenzoyl)piperidine-1-carbonyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESO=C(c1ccc(O)cc1)C1CCN(C(=O)C2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)CC1
InChIInChI=1S/C24H23F3N2O4/c25-24(26,27)18-2-1-3-19(13-18)29-14-17(12-21(29)31)23(33)28-10-8-16(9-11-28)22(32)15-4-6-20(30)7-5-15/h1-7,13,16-17,30H,8-12,14H2
InChIKeyNCYGQTSGTPPSDI-UHFFFAOYSA-N
XLogP3.89
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.45
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methylsulfonylpiperazine-1-carbonyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 42650720
4-[4-(3-methylphenyl)piperazine-1-carbonyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 46550511
N-[1-[5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbonyl]piperidin-4-yl]propane-1-sulfonamide
CID 55655263
1-(3,4-dimethylphenyl)-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 17082382
4-(2-ethylpiperidine-1-carbonyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 113188642
1-phenyl-4-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
CID 46687087
1-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 9388657
5-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 46789600
1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 2977525
N-(3,4-difluorophenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188669
(4R)-4-(4-cyclopentyl-1,4-diazepane-1-carbonyl)-1-(3-hydroxyphenyl)pyrrolidin-2-one
CID 95860840
5-oxo-N-[(1-phenylpyrrolidin-3-yl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 55652394

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-hydroxybenzoyl)piperidine-1-carbonyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 4-[4-(4-hydroxybenzoyl)piperidine-1-carbonyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one (CID 42936807) is 4-[4-(4-hydroxybenzoyl)piperidine-1-carbonyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[4-(4-hydroxybenzoyl)piperidine-1-carbonyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 4-[4-(4-hydroxybenzoyl)piperidine-1-carbonyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one is O=C(c1ccc(O)cc1)C1CCN(C(=O)C2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)CC1.
What is the InChIKey of 4-[4-(4-hydroxybenzoyl)piperidine-1-carbonyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The InChIKey is NCYGQTSGTPPSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N2O4/c25-24(26,27)18-2-1-3-19(13-18)29-14-17(12-21(29)31)23(33)28-10-8-16(9-11-28)22(32)15-4-6-20(30)7-5-15/h1-7,13,16-17,30H,8-12,14H2.
What are the key properties of 4-[4-(4-hydroxybenzoyl)piperidine-1-carbonyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
4-[4-(4-hydroxybenzoyl)piperidine-1-carbonyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one has a molecular weight of 460.45 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-hydroxybenzoyl)piperidine-1-carbonyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 42936807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).