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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Related Compounds

1-(2-prop-2-ynoxyphenyl)pyrrolidin-2-one
CID 88724658
1-[2-(trifluoromethoxy)phenyl]imidazolidin-2-one
CID 115370438
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
1-(2-hydroxyphenyl)pyrrolidin-2-one
CID 695303
1-(2-but-3-yn-2-yloxyphenyl)pyrrolidin-2-one
CID 88725731
1-[2-[2,5-dideuterio-4-[2-(2-oxopyrrolidin-1-yl)phenyl]-3,6-bis[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyrrolidin-2-one
CID 176589252
2-[3-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 130046963
4-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
CID 134627368
1-[2-(pyridin-2-ylmethylamino)phenyl]pyrrolidin-2-one
CID 28682039
1-(2,3-difluorophenyl)azepan-2-one
CID 141144880
4-(chloromethyl)-2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyridine
CID 118801728
6-[2-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-naphthalen-1-one
CID 169410326

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).