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

C15H19F3N2O2 — CID 97201883

IUPAC6-methyl-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-4-(trifluoromethyl)pyridin-2-one
SMILESCc1cc(C(F)(F)F)cc(=O)n1[C@@H](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/t11-/m0/s1
InChIKeyJUGWZWCCSVQUKJ-NSHDSACASA-N
MW316.32 g/mol
LogP2.75
Rot. Bonds2

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

6-methyl-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-4-(trifluoromethyl)pyridin-2-one (PubChem CID 97201883) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is 6-methyl-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-4-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name6-methyl-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-4-(trifluoromethyl)pyridin-2-one
PubChem CID97201883
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC Name6-methyl-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-4-(trifluoromethyl)pyridin-2-one
SMILESCc1cc(C(F)(F)F)cc(=O)n1[C@@H](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/t11-/m0/s1
InChIKeyJUGWZWCCSVQUKJ-NSHDSACASA-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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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-4-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 6-methyl-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-4-(trifluoromethyl)pyridin-2-one (CID 97201883) is 6-methyl-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-4-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 6-methyl-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-4-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 6-methyl-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-4-(trifluoromethyl)pyridin-2-one is Cc1cc(C(F)(F)F)cc(=O)n1[C@@H](C)C(=O)N1CCCCC1.
What is the InChIKey of 6-methyl-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-4-(trifluoromethyl)pyridin-2-one?
The InChIKey is JUGWZWCCSVQUKJ-NSHDSACASA-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/t11-/m0/s1.
What are the key properties of 6-methyl-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-4-(trifluoromethyl)pyridin-2-one?
6-methyl-1-[(2S)-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-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-4-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 97201883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).