6-propan-2-yl-3-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one

C14H17F3N2O3 — CID 56870455

IUPAC6-propan-2-yl-3-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one
SMILESCC(C)c1ccc(C(=O)N2CCOC(C(F)(F)F)C2)c(=O)[nH]1
InChIInChI=1S/C14H17F3N2O3/c1-8(2)10-4-3-9(12(20)18-10)13(21)19-5-6-22-11(7-19)14(15,16)17/h3-4,8,11H,5-7H2,1-2H3,(H,18,20)
InChIKeyZVGKUNMPFJCOOK-UHFFFAOYSA-N
MW318.30 g/mol
LogP1.90
Rot. Bonds2

About 6-propan-2-yl-3-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one

6-propan-2-yl-3-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one (PubChem CID 56870455) has the molecular formula C14H17F3N2O3 and a molecular weight of 318.30 g/mol. Its IUPAC name is 6-propan-2-yl-3-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-propan-2-yl-3-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one
PubChem CID56870455
Molecular FormulaC14H17F3N2O3
Molecular Weight318.30 g/mol
Exact Mass318.12
IUPAC Name6-propan-2-yl-3-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one
SMILESCC(C)c1ccc(C(=O)N2CCOC(C(F)(F)F)C2)c(=O)[nH]1
InChIInChI=1S/C14H17F3N2O3/c1-8(2)10-4-3-9(12(20)18-10)13(21)19-5-6-22-11(7-19)14(15,16)17/h3-4,8,11H,5-7H2,1-2H3,(H,18,20)
InChIKeyZVGKUNMPFJCOOK-UHFFFAOYSA-N
XLogP1.90
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(trifluoromethyl)-3-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 56862466
2-propan-2-yl-5-[(2R)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 95554073
2-methyl-5-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 95549657
2-methyl-5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 56869394
3-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
CID 124996496
3-(4-methyl-3-phenylpiperazine-1-carbonyl)-6-propan-2-yl-1H-pyridin-2-one
CID 56880850
[2-(trifluoromethyl)morpholin-4-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone
CID 56865765
3-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
CID 70715383
1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone
CID 170011529
1,6-dimethyl-3-[(2R)-2-(trifluoromethyl)morpholine-4-carbonyl]quinolin-4-one
CID 95548927
3-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
CID 124982788
(8-hydroxyquinolin-7-yl)-[(2R)-2-(trifluoromethyl)morpholin-4-yl]methanone
CID 95555898

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-3-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 6-propan-2-yl-3-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one (CID 56870455) is 6-propan-2-yl-3-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-propan-2-yl-3-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 6-propan-2-yl-3-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one is CC(C)c1ccc(C(=O)N2CCOC(C(F)(F)F)C2)c(=O)[nH]1.
What is the InChIKey of 6-propan-2-yl-3-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one?
The InChIKey is ZVGKUNMPFJCOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O3/c1-8(2)10-4-3-9(12(20)18-10)13(21)19-5-6-22-11(7-19)14(15,16)17/h3-4,8,11H,5-7H2,1-2H3,(H,18,20).
What are the key properties of 6-propan-2-yl-3-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one?
6-propan-2-yl-3-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one has a molecular weight of 318.30 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-3-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 56870455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).