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

C18H17F3N2O3 — CID 56876994

IUPAC3-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc[nH]c1=O)N1CCOC(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C18H17F3N2O3/c19-18(20,21)13-4-1-3-12(9-13)10-14-11-23(7-8-26-14)17(25)15-5-2-6-22-16(15)24/h1-6,9,14H,7-8,10-11H2,(H,22,24)
InChIKeyIPVPOSNQRRCASH-UHFFFAOYSA-N
MW366.34 g/mol
LogP2.48
Rot. Bonds3

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

3-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carbonyl]-1H-pyridin-2-one (PubChem CID 56876994) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is 3-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carbonyl]-1H-pyridin-2-one
PubChem CID56876994
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC Name3-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc[nH]c1=O)N1CCOC(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C18H17F3N2O3/c19-18(20,21)13-4-1-3-12(9-13)10-14-11-23(7-8-26-14)17(25)15-5-2-6-22-16(15)24/h1-6,9,14H,7-8,10-11H2,(H,22,24)
InChIKeyIPVPOSNQRRCASH-UHFFFAOYSA-N
XLogP2.48
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 3-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carbonyl]-1H-pyridin-2-one (CID 56876994) is 3-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carbonyl]-1H-pyridin-2-one is O=C(c1ccc[nH]c1=O)N1CCOC(Cc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 3-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carbonyl]-1H-pyridin-2-one?
The InChIKey is IPVPOSNQRRCASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3/c19-18(20,21)13-4-1-3-12(9-13)10-14-11-23(7-8-26-14)17(25)15-5-2-6-22-16(15)24/h1-6,9,14H,7-8,10-11H2,(H,22,24).
What are the key properties of 3-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carbonyl]-1H-pyridin-2-one?
3-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carbonyl]-1H-pyridin-2-one has a molecular weight of 366.34 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 56876994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).