1-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one

C13H15F3N2O3 — CID 94017593

IUPAC1-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
SMILESC[C@H]1CN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)CCO1
InChIInChI=1S/C13H15F3N2O3/c1-9-6-17(4-5-21-9)12(20)8-18-7-10(13(14,15)16)2-3-11(18)19/h2-3,7,9H,4-6,8H2,1H3/t9-/m0/s1
InChIKeyHIDOIONWXDWOLH-VIFPVBQESA-N
MW304.27 g/mol
LogP1.11
Rot. Bonds2

About 1-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one

1-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 94017593) has the molecular formula C13H15F3N2O3 and a molecular weight of 304.27 g/mol. Its IUPAC name is 1-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID94017593
Molecular FormulaC13H15F3N2O3
Molecular Weight304.27 g/mol
Exact Mass304.10
IUPAC Name1-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
SMILESC[C@H]1CN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)CCO1
InChIInChI=1S/C13H15F3N2O3/c1-9-6-17(4-5-21-9)12(20)8-18-7-10(13(14,15)16)2-3-11(18)19/h2-3,7,9H,4-6,8H2,1H3/t9-/m0/s1
InChIKeyHIDOIONWXDWOLH-VIFPVBQESA-N
XLogP1.11
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Chloro-1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
CID 16275476
2-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]morpholine-4-carboxamide
CID 47492552
5-{[2-(trifluoromethyl)morpholin-4-yl]carbonyl}pyridin-2(1H)-one
CID 56875977
1-[2-[(2S)-2-ethylmorpholin-4-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
CID 93610467
1-Methyl-3-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-one
CID 90397023
1-Ethyl-3-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-one
CID 123611447
3-Amino-1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyridin-2-one
CID 157042169
3-Amino-1-(1,4-dioxan-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-one
CID 157042484
3-Methyl-1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyridin-2-one
CID 167584976
N-[1-(3-morpholin-4-ylpropyl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]acetamide
CID 168075782
1-(1,4-Dioxan-2-ylmethyl)-3-methyl-5-(trifluoromethyl)pyridin-2-one
CID 169959734
1-(2-Morpholin-4-yl-2-oxoethyl)-5-(trifluoromethyl)pyridin-2-one
CID 8195603

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one (CID 94017593) is 1-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one is C[C@H]1CN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)CCO1.
What is the InChIKey of 1-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is HIDOIONWXDWOLH-VIFPVBQESA-N. The full InChI is InChI=1S/C13H15F3N2O3/c1-9-6-17(4-5-21-9)12(20)8-18-7-10(13(14,15)16)2-3-11(18)19/h2-3,7,9H,4-6,8H2,1H3/t9-/m0/s1.
What are the key properties of 1-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one?
1-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 304.27 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 94017593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).