6-methyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)-4-(trifluoromethyl)pyridin-2-one

C15H19F3N2O2 — CID 72903012

IUPAC6-methyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)-4-(trifluoromethyl)pyridin-2-one
SMILESCc1cc(C(F)(F)F)cc(=O)n1C(C)C(=O)N1CCCCC1
InChIInChI=1S/C15H19F3N2O2/c1-10-8-12(15(16,17)18)9-13(21)20(10)11(2)14(22)19-6-4-3-5-7-19/h8-9,11H,3-7H2,1-2H3
InChIKeyJUGWZWCCSVQUKJ-UHFFFAOYSA-N
MW316.32 g/mol
LogP2.75
Rot. Bonds2

About 6-methyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)-4-(trifluoromethyl)pyridin-2-one

6-methyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)-4-(trifluoromethyl)pyridin-2-one (PubChem CID 72903012) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is 6-methyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)-4-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name6-methyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)-4-(trifluoromethyl)pyridin-2-one
PubChem CID72903012
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC Name6-methyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)-4-(trifluoromethyl)pyridin-2-one
SMILESCc1cc(C(F)(F)F)cc(=O)n1C(C)C(=O)N1CCCCC1
InChIInChI=1S/C15H19F3N2O2/c1-10-8-12(15(16,17)18)9-13(21)20(10)11(2)14(22)19-6-4-3-5-7-19/h8-9,11H,3-7H2,1-2H3
InChIKeyJUGWZWCCSVQUKJ-UHFFFAOYSA-N
XLogP2.75
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(azepan-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-one
CID 51390470
1-[1-(azepan-1-yl)-1-oxopropan-2-yl]-6,7-dimethyl-3-(trifluoromethyl)quinoxalin-2-one
CID 46284828
6-chloro-2-methyl-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-one
CID 114581847
N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-3-(trifluoromethyl)benzamide
CID 94667832
N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methylpiperidine-1-carboxamide
CID 89088714
1-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperidin-4-one
CID 43083770
2-chloro-2-[3-fluoro-5-(trifluoromethyl)phenyl]-1-piperidin-1-ylethanone
CID 115350534
1-(azocan-1-yl)-2-methylpropan-1-one
CID 17164385
(2S)-1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one
CID 95897796
1-[1-(azepan-1-yl)-1-oxopropan-2-yl]-6-oxopyridazine-3-carboxylic acid
CID 114696033
1-(azetidin-1-yl)-2-methylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one
CID 163844566
N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-4-(trifluoromethyl)benzamide
CID 110351388

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)-4-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 6-methyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)-4-(trifluoromethyl)pyridin-2-one (CID 72903012) is 6-methyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)-4-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 6-methyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)-4-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 6-methyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)-4-(trifluoromethyl)pyridin-2-one is Cc1cc(C(F)(F)F)cc(=O)n1C(C)C(=O)N1CCCCC1.
What is the InChIKey of 6-methyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)-4-(trifluoromethyl)pyridin-2-one?
The InChIKey is JUGWZWCCSVQUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2/c1-10-8-12(15(16,17)18)9-13(21)20(10)11(2)14(22)19-6-4-3-5-7-19/h8-9,11H,3-7H2,1-2H3.
What are the key properties of 6-methyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)-4-(trifluoromethyl)pyridin-2-one?
6-methyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)-4-(trifluoromethyl)pyridin-2-one has a molecular weight of 316.32 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)-4-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 72903012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).