(3R)-3-[4-(4-hydroxybenzoyl)piperidin-1-yl]-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one

C23H23F3N2O4 — CID 96503326

IUPAC(3R)-3-[4-(4-hydroxybenzoyl)piperidin-1-yl]-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one
SMILESO=C(c1ccc(O)cc1)C1CCN([C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CC1
InChIInChI=1S/C23H23F3N2O4/c24-23(25,26)32-19-3-1-2-17(14-19)28-13-10-20(22(28)31)27-11-8-16(9-12-27)21(30)15-4-6-18(29)7-5-15/h1-7,14,16,20,29H,8-13H2/t20-/m1/s1
InChIKeyHQZHSTBSJROWHD-HXUWFJFHSA-N
MW448.44 g/mol
LogP3.99
Rot. Bonds5

About (3R)-3-[4-(4-hydroxybenzoyl)piperidin-1-yl]-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one

(3R)-3-[4-(4-hydroxybenzoyl)piperidin-1-yl]-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one (PubChem CID 96503326) has the molecular formula C23H23F3N2O4 and a molecular weight of 448.44 g/mol. Its IUPAC name is (3R)-3-[4-(4-hydroxybenzoyl)piperidin-1-yl]-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-[4-(4-hydroxybenzoyl)piperidin-1-yl]-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one
PubChem CID96503326
Molecular FormulaC23H23F3N2O4
Molecular Weight448.44 g/mol
Exact Mass448.16
IUPAC Name(3R)-3-[4-(4-hydroxybenzoyl)piperidin-1-yl]-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one
SMILESO=C(c1ccc(O)cc1)C1CCN([C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CC1
InChIInChI=1S/C23H23F3N2O4/c24-23(25,26)32-19-3-1-2-17(14-19)28-13-10-20(22(28)31)27-11-8-16(9-12-27)21(30)15-4-6-18(29)7-5-15/h1-7,14,16,20,29H,8-13H2/t20-/m1/s1
InChIKeyHQZHSTBSJROWHD-HXUWFJFHSA-N
XLogP3.99
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.44
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-(4-hydroxypiperidin-1-yl)-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one
CID 95904468
5-methyl-1-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]piperidine-3-carboxylic acid
CID 122121265
3-amino-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one
CID 19710959
N-[(3S)-2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]cyclopropanecarboxamide
CID 95627572
(4-fluorophenyl)-[1-[3-(trifluoromethoxy)benzoyl]piperidin-4-yl]methanone
CID 10046202
N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-N-phenylformamide
CID 87780735
(4-methylphenyl)-[1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]methanone
CID 55913562
4-[4-(4-hydroxybenzoyl)piperidine-1-carbonyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 42936807
(4-methylcyclohexyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 63409770
N'-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]oxythiophene-3-carboximidamide
CID 132970325
1,4-diazabicyclo[2.2.2]octan-2-yl-[3-(trifluoromethoxy)phenyl]methanone
CID 79960181
methyl 2-[2-oxo-2-[[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]amino]ethoxy]acetate
CID 139000528

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-(4-hydroxybenzoyl)piperidin-1-yl]-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one?
The IUPAC name of (3R)-3-[4-(4-hydroxybenzoyl)piperidin-1-yl]-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one (CID 96503326) is (3R)-3-[4-(4-hydroxybenzoyl)piperidin-1-yl]-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one.
What is the SMILES notation for (3R)-3-[4-(4-hydroxybenzoyl)piperidin-1-yl]-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one?
The canonical SMILES for (3R)-3-[4-(4-hydroxybenzoyl)piperidin-1-yl]-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one is O=C(c1ccc(O)cc1)C1CCN([C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CC1.
What is the InChIKey of (3R)-3-[4-(4-hydroxybenzoyl)piperidin-1-yl]-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one?
The InChIKey is HQZHSTBSJROWHD-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H23F3N2O4/c24-23(25,26)32-19-3-1-2-17(14-19)28-13-10-20(22(28)31)27-11-8-16(9-12-27)21(30)15-4-6-18(29)7-5-15/h1-7,14,16,20,29H,8-13H2/t20-/m1/s1.
What are the key properties of (3R)-3-[4-(4-hydroxybenzoyl)piperidin-1-yl]-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one?
(3R)-3-[4-(4-hydroxybenzoyl)piperidin-1-yl]-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one has a molecular weight of 448.44 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-(4-hydroxybenzoyl)piperidin-1-yl]-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 96503326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).