1-[[4-[4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one

C19H19F3N2O — CID 157436234

IUPAC1-[[4-[4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one
SMILESCc1cc(-c2ccc(CN3CCCCC3=O)cc2)nc(C(F)(F)F)c1
InChIInChI=1S/C19H19F3N2O/c1-13-10-16(23-17(11-13)19(20,21)22)15-7-5-14(6-8-15)12-24-9-3-2-4-18(24)25/h5-8,10-11H,2-4,9,12H2,1H3
InChIKeyJLMNUUAOPHGITL-UHFFFAOYSA-N
MW348.37 g/mol
LogP4.59
Rot. Bonds3

About 1-[[4-[4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one

1-[[4-[4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one (PubChem CID 157436234) has the molecular formula C19H19F3N2O and a molecular weight of 348.37 g/mol. Its IUPAC name is 1-[[4-[4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[[4-[4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one
PubChem CID157436234
Molecular FormulaC19H19F3N2O
Molecular Weight348.37 g/mol
Exact Mass348.14
IUPAC Name1-[[4-[4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one
SMILESCc1cc(-c2ccc(CN3CCCCC3=O)cc2)nc(C(F)(F)F)c1
InChIInChI=1S/C19H19F3N2O/c1-13-10-16(23-17(11-13)19(20,21)22)15-7-5-14(6-8-15)12-24-9-3-2-4-18(24)25/h5-8,10-11H,2-4,9,12H2,1H3
InChIKeyJLMNUUAOPHGITL-UHFFFAOYSA-N
XLogP4.59
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one?
The IUPAC name of 1-[[4-[4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one (CID 157436234) is 1-[[4-[4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one.
What is the SMILES notation for 1-[[4-[4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one?
The canonical SMILES for 1-[[4-[4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one is Cc1cc(-c2ccc(CN3CCCCC3=O)cc2)nc(C(F)(F)F)c1.
What is the InChIKey of 1-[[4-[4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one?
The InChIKey is JLMNUUAOPHGITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O/c1-13-10-16(23-17(11-13)19(20,21)22)15-7-5-14(6-8-15)12-24-9-3-2-4-18(24)25/h5-8,10-11H,2-4,9,12H2,1H3.
What are the key properties of 1-[[4-[4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one?
1-[[4-[4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one has a molecular weight of 348.37 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one is sourced from PubChem (CID 157436234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).