3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

C17H20ClF3N2O2 — CID 163356065

IUPAC3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESO=C1C(N2CCC(O)(c3ccc(Cl)cc3)CC2)CCN1CC(F)(F)F
InChIInChI=1S/C17H20ClF3N2O2/c18-13-3-1-12(2-4-13)16(25)6-9-22(10-7-16)14-5-8-23(15(14)24)11-17(19,20)21/h1-4,14,25H,5-11H2
InChIKeyMGFGBKFQAQVVQA-UHFFFAOYSA-N
MW376.81 g/mol
LogP2.79
Rot. Bonds3

About 3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (PubChem CID 163356065) has the molecular formula C17H20ClF3N2O2 and a molecular weight of 376.81 g/mol. Its IUPAC name is 3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
PubChem CID163356065
Molecular FormulaC17H20ClF3N2O2
Molecular Weight376.81 g/mol
Exact Mass376.12
IUPAC Name3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESO=C1C(N2CCC(O)(c3ccc(Cl)cc3)CC2)CCN1CC(F)(F)F
InChIInChI=1S/C17H20ClF3N2O2/c18-13-3-1-12(2-4-13)16(25)6-9-22(10-7-16)14-5-8-23(15(14)24)11-17(19,20)21/h1-4,14,25H,5-11H2
InChIKeyMGFGBKFQAQVVQA-UHFFFAOYSA-N
XLogP2.79
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.81
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The IUPAC name of 3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (CID 163356065) is 3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The canonical SMILES for 3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is O=C1C(N2CCC(O)(c3ccc(Cl)cc3)CC2)CCN1CC(F)(F)F.
What is the InChIKey of 3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The InChIKey is MGFGBKFQAQVVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClF3N2O2/c18-13-3-1-12(2-4-13)16(25)6-9-22(10-7-16)14-5-8-23(15(14)24)11-17(19,20)21/h1-4,14,25H,5-11H2.
What are the key properties of 3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one has a molecular weight of 376.81 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 163356065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).