1,4,6-trimethyl-3-[2-(trifluoromethyl)morpholine-4-carbonyl]pyridin-2-one

C14H17F3N2O3 — CID 56862553

IUPAC1,4,6-trimethyl-3-[2-(trifluoromethyl)morpholine-4-carbonyl]pyridin-2-one
SMILESCc1cc(C)n(C)c(=O)c1C(=O)N1CCOC(C(F)(F)F)C1
InChIInChI=1S/C14H17F3N2O3/c1-8-6-9(2)18(3)12(20)11(8)13(21)19-4-5-22-10(7-19)14(15,16)17/h6,10H,4-5,7H2,1-3H3
InChIKeyHIPYFDUQKDMXKP-UHFFFAOYSA-N
MW318.30 g/mol
LogP1.41
Rot. Bonds1

About 1,4,6-trimethyl-3-[2-(trifluoromethyl)morpholine-4-carbonyl]pyridin-2-one

1,4,6-trimethyl-3-[2-(trifluoromethyl)morpholine-4-carbonyl]pyridin-2-one (PubChem CID 56862553) has the molecular formula C14H17F3N2O3 and a molecular weight of 318.30 g/mol. Its IUPAC name is 1,4,6-trimethyl-3-[2-(trifluoromethyl)morpholine-4-carbonyl]pyridin-2-one.

Molecular Properties

Compound Name1,4,6-trimethyl-3-[2-(trifluoromethyl)morpholine-4-carbonyl]pyridin-2-one
PubChem CID56862553
Molecular FormulaC14H17F3N2O3
Molecular Weight318.30 g/mol
Exact Mass318.12
IUPAC Name1,4,6-trimethyl-3-[2-(trifluoromethyl)morpholine-4-carbonyl]pyridin-2-one
SMILESCc1cc(C)n(C)c(=O)c1C(=O)N1CCOC(C(F)(F)F)C1
InChIInChI=1S/C14H17F3N2O3/c1-8-6-9(2)18(3)12(20)11(8)13(21)19-4-5-22-10(7-19)14(15,16)17/h6,10H,4-5,7H2,1-3H3
InChIKeyHIPYFDUQKDMXKP-UHFFFAOYSA-N
XLogP1.41
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4,6-trimethyl-3-[2-(trifluoromethyl)morpholine-4-carbonyl]pyridin-2-one?
The IUPAC name of 1,4,6-trimethyl-3-[2-(trifluoromethyl)morpholine-4-carbonyl]pyridin-2-one (CID 56862553) is 1,4,6-trimethyl-3-[2-(trifluoromethyl)morpholine-4-carbonyl]pyridin-2-one.
What is the SMILES notation for 1,4,6-trimethyl-3-[2-(trifluoromethyl)morpholine-4-carbonyl]pyridin-2-one?
The canonical SMILES for 1,4,6-trimethyl-3-[2-(trifluoromethyl)morpholine-4-carbonyl]pyridin-2-one is Cc1cc(C)n(C)c(=O)c1C(=O)N1CCOC(C(F)(F)F)C1.
What is the InChIKey of 1,4,6-trimethyl-3-[2-(trifluoromethyl)morpholine-4-carbonyl]pyridin-2-one?
The InChIKey is HIPYFDUQKDMXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O3/c1-8-6-9(2)18(3)12(20)11(8)13(21)19-4-5-22-10(7-19)14(15,16)17/h6,10H,4-5,7H2,1-3H3.
What are the key properties of 1,4,6-trimethyl-3-[2-(trifluoromethyl)morpholine-4-carbonyl]pyridin-2-one?
1,4,6-trimethyl-3-[2-(trifluoromethyl)morpholine-4-carbonyl]pyridin-2-one has a molecular weight of 318.30 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,6-trimethyl-3-[2-(trifluoromethyl)morpholine-4-carbonyl]pyridin-2-one is sourced from PubChem (CID 56862553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).