5-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-6-phenylpiperidin-2-one

C20H17F6NO2 — CID 19379327

IUPAC5-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-6-phenylpiperidin-2-one
SMILESO=C1CCC(OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(c2ccccc2)N1
InChIInChI=1S/C20H17F6NO2/c21-19(22,23)14-8-12(9-15(10-14)20(24,25)26)11-29-16-6-7-17(28)27-18(16)13-4-2-1-3-5-13/h1-5,8-10,16,18H,6-7,11H2,(H,27,28)
InChIKeySTOIVPUMOZWZNS-UHFFFAOYSA-N
MW417.35 g/mol
LogP5.26
Rot. Bonds4

About 5-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-6-phenylpiperidin-2-one

5-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-6-phenylpiperidin-2-one (PubChem CID 19379327) has the molecular formula C20H17F6NO2 and a molecular weight of 417.35 g/mol. Its IUPAC name is 5-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-6-phenylpiperidin-2-one.

Molecular Properties

Compound Name5-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-6-phenylpiperidin-2-one
PubChem CID19379327
Molecular FormulaC20H17F6NO2
Molecular Weight417.35 g/mol
Exact Mass417.12
IUPAC Name5-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-6-phenylpiperidin-2-one
SMILESO=C1CCC(OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(c2ccccc2)N1
InChIInChI=1S/C20H17F6NO2/c21-19(22,23)14-8-12(9-15(10-14)20(24,25)26)11-29-16-6-7-17(28)27-18(16)13-4-2-1-3-5-13/h1-5,8-10,16,18H,6-7,11H2,(H,27,28)
InChIKeySTOIVPUMOZWZNS-UHFFFAOYSA-N
XLogP5.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.35
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-6-phenylpiperidin-2-one?
The IUPAC name of 5-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-6-phenylpiperidin-2-one (CID 19379327) is 5-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-6-phenylpiperidin-2-one.
What is the SMILES notation for 5-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-6-phenylpiperidin-2-one?
The canonical SMILES for 5-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-6-phenylpiperidin-2-one is O=C1CCC(OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(c2ccccc2)N1.
What is the InChIKey of 5-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-6-phenylpiperidin-2-one?
The InChIKey is STOIVPUMOZWZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F6NO2/c21-19(22,23)14-8-12(9-15(10-14)20(24,25)26)11-29-16-6-7-17(28)27-18(16)13-4-2-1-3-5-13/h1-5,8-10,16,18H,6-7,11H2,(H,27,28).
What are the key properties of 5-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-6-phenylpiperidin-2-one?
5-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-6-phenylpiperidin-2-one has a molecular weight of 417.35 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-6-phenylpiperidin-2-one is sourced from PubChem (CID 19379327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).