1-[2-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]piperidin-2-one

C17H15F3N2O2 — CID 167961634

IUPAC1-[2-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]piperidin-2-one
SMILESO=C1CCCCN1c1cccnc1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C17H15F3N2O2/c18-17(19,20)24-14-8-2-1-6-12(14)16-13(7-5-10-21-16)22-11-4-3-9-15(22)23/h1-2,5-8,10H,3-4,9,11H2
InChIKeyGEUFPNYLEGLDFN-UHFFFAOYSA-N
MW336.31 g/mol
LogP4.16
Rot. Bonds3

About 1-[2-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]piperidin-2-one

1-[2-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]piperidin-2-one (PubChem CID 167961634) has the molecular formula C17H15F3N2O2 and a molecular weight of 336.31 g/mol. Its IUPAC name is 1-[2-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]piperidin-2-one
PubChem CID167961634
Molecular FormulaC17H15F3N2O2
Molecular Weight336.31 g/mol
Exact Mass336.11
IUPAC Name1-[2-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]piperidin-2-one
SMILESO=C1CCCCN1c1cccnc1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C17H15F3N2O2/c18-17(19,20)24-14-8-2-1-6-12(14)16-13(7-5-10-21-16)22-11-4-3-9-15(22)23/h1-2,5-8,10H,3-4,9,11H2
InChIKeyGEUFPNYLEGLDFN-UHFFFAOYSA-N
XLogP4.16
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]piperidin-2-one?
The IUPAC name of 1-[2-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]piperidin-2-one (CID 167961634) is 1-[2-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]piperidin-2-one.
What is the SMILES notation for 1-[2-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]piperidin-2-one?
The canonical SMILES for 1-[2-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]piperidin-2-one is O=C1CCCCN1c1cccnc1-c1ccccc1OC(F)(F)F.
What is the InChIKey of 1-[2-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]piperidin-2-one?
The InChIKey is GEUFPNYLEGLDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O2/c18-17(19,20)24-14-8-2-1-6-12(14)16-13(7-5-10-21-16)22-11-4-3-9-15(22)23/h1-2,5-8,10H,3-4,9,11H2.
What are the key properties of 1-[2-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]piperidin-2-one?
1-[2-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]piperidin-2-one has a molecular weight of 336.31 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]piperidin-2-one is sourced from PubChem (CID 167961634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).