3-(morpholine-4-carbonyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one

C18H17F3N2O3 — CID 4318238

IUPAC3-(morpholine-4-carbonyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one
SMILESO=C(c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O)N1CCOCC1
InChIInChI=1S/C18H17F3N2O3/c19-18(20,21)14-5-3-13(4-6-14)12-23-7-1-2-15(17(23)25)16(24)22-8-10-26-11-9-22/h1-7H,8-12H2
InChIKeyHKGFXGBCEFVJEB-UHFFFAOYSA-N
MW366.34 g/mol
LogP2.39
Rot. Bonds3

About 3-(morpholine-4-carbonyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one

3-(morpholine-4-carbonyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one (PubChem CID 4318238) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is 3-(morpholine-4-carbonyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one.

Molecular Properties

Compound Name3-(morpholine-4-carbonyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one
PubChem CID4318238
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC Name3-(morpholine-4-carbonyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one
SMILESO=C(c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O)N1CCOCC1
InChIInChI=1S/C18H17F3N2O3/c19-18(20,21)14-5-3-13(4-6-14)12-23-7-1-2-15(17(23)25)16(24)22-8-10-26-11-9-22/h1-7H,8-12H2
InChIKeyHKGFXGBCEFVJEB-UHFFFAOYSA-N
XLogP2.39
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(morpholine-4-carbonyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one?
The IUPAC name of 3-(morpholine-4-carbonyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one (CID 4318238) is 3-(morpholine-4-carbonyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one.
What is the SMILES notation for 3-(morpholine-4-carbonyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one?
The canonical SMILES for 3-(morpholine-4-carbonyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one is O=C(c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O)N1CCOCC1.
What is the InChIKey of 3-(morpholine-4-carbonyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one?
The InChIKey is HKGFXGBCEFVJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3/c19-18(20,21)14-5-3-13(4-6-14)12-23-7-1-2-15(17(23)25)16(24)22-8-10-26-11-9-22/h1-7H,8-12H2.
What are the key properties of 3-(morpholine-4-carbonyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one?
3-(morpholine-4-carbonyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one has a molecular weight of 366.34 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(morpholine-4-carbonyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one is sourced from PubChem (CID 4318238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).