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

C16H19F3N2O3 — CID 95904468

IUPAC(3R)-3-(4-hydroxypiperidin-1-yl)-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one
SMILESO=C1[C@H](N2CCC(O)CC2)CCN1c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C16H19F3N2O3/c17-16(18,19)24-13-3-1-2-11(10-13)21-9-6-14(15(21)23)20-7-4-12(22)5-8-20/h1-3,10,12,14,22H,4-9H2/t14-/m1/s1
InChIKeyQAVKHNWBDYBJOQ-CQSZACIVSA-N
MW344.33 g/mol
LogP2.15
Rot. Bonds3

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

(3R)-3-(4-hydroxypiperidin-1-yl)-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one (PubChem CID 95904468) has the molecular formula C16H19F3N2O3 and a molecular weight of 344.33 g/mol. Its IUPAC name is (3R)-3-(4-hydroxypiperidin-1-yl)-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-(4-hydroxypiperidin-1-yl)-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one
PubChem CID95904468
Molecular FormulaC16H19F3N2O3
Molecular Weight344.33 g/mol
Exact Mass344.13
IUPAC Name(3R)-3-(4-hydroxypiperidin-1-yl)-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one
SMILESO=C1[C@H](N2CCC(O)CC2)CCN1c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C16H19F3N2O3/c17-16(18,19)24-13-3-1-2-11(10-13)21-9-6-14(15(21)23)20-7-4-12(22)5-8-20/h1-3,10,12,14,22H,4-9H2/t14-/m1/s1
InChIKeyQAVKHNWBDYBJOQ-CQSZACIVSA-N
XLogP2.15
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-hydroxypiperidin-1-yl)-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one?
The IUPAC name of (3R)-3-(4-hydroxypiperidin-1-yl)-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one (CID 95904468) is (3R)-3-(4-hydroxypiperidin-1-yl)-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one.
What is the SMILES notation for (3R)-3-(4-hydroxypiperidin-1-yl)-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one?
The canonical SMILES for (3R)-3-(4-hydroxypiperidin-1-yl)-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one is O=C1[C@H](N2CCC(O)CC2)CCN1c1cccc(OC(F)(F)F)c1.
What is the InChIKey of (3R)-3-(4-hydroxypiperidin-1-yl)-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one?
The InChIKey is QAVKHNWBDYBJOQ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H19F3N2O3/c17-16(18,19)24-13-3-1-2-11(10-13)21-9-6-14(15(21)23)20-7-4-12(22)5-8-20/h1-3,10,12,14,22H,4-9H2/t14-/m1/s1.
What are the key properties of (3R)-3-(4-hydroxypiperidin-1-yl)-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one?
(3R)-3-(4-hydroxypiperidin-1-yl)-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one has a molecular weight of 344.33 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-hydroxypiperidin-1-yl)-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 95904468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).