1-methyl-3-[(2R)-2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]pyrazin-2-one

C16H16F3N3O2 — CID 99820216

IUPAC1-methyl-3-[(2R)-2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]pyrazin-2-one
SMILESCn1ccnc(N2CCO[C@H](c3ccccc3C(F)(F)F)C2)c1=O
InChIInChI=1S/C16H16F3N3O2/c1-21-7-6-20-14(15(21)23)22-8-9-24-13(10-22)11-4-2-3-5-12(11)16(17,18)19/h2-7,13H,8-10H2,1H3/t13-/m0/s1
InChIKeyMBSDVIZNQQOFAF-ZDUSSCGKSA-N
MW339.32 g/mol
LogP2.38
Rot. Bonds2

About 1-methyl-3-[(2R)-2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]pyrazin-2-one

1-methyl-3-[(2R)-2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]pyrazin-2-one (PubChem CID 99820216) has the molecular formula C16H16F3N3O2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 1-methyl-3-[(2R)-2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]pyrazin-2-one.

Molecular Properties

Compound Name1-methyl-3-[(2R)-2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]pyrazin-2-one
PubChem CID99820216
Molecular FormulaC16H16F3N3O2
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC Name1-methyl-3-[(2R)-2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]pyrazin-2-one
SMILESCn1ccnc(N2CCO[C@H](c3ccccc3C(F)(F)F)C2)c1=O
InChIInChI=1S/C16H16F3N3O2/c1-21-7-6-20-14(15(21)23)22-8-9-24-13(10-22)11-4-2-3-5-12(11)16(17,18)19/h2-7,13H,8-10H2,1H3/t13-/m0/s1
InChIKeyMBSDVIZNQQOFAF-ZDUSSCGKSA-N
XLogP2.38
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-[2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]acetamide
CID 84599857
N-methyl-2-[2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]acetamide
CID 84599861
4-Methyl-1-[2-[5-methyl-2-(2-methylphenyl)morpholin-4-yl]-2-oxoethyl]pyridin-2-one
CID 121548041
3-[4-[(2-Fluorophenyl)methoxymethyl]piperidin-1-yl]-1-methylpyrazin-2-one
CID 23061156
3-[4-[(2-Fluorophenyl)methoxy]piperidin-1-yl]-1-methylpyrazin-2-one
CID 23061234
1-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]-3-(trifluoromethyl)pyridin-2-one
CID 37912224
1-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]-3-(trifluoromethyl)pyridin-2-one
CID 37912228
1-[2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one
CID 40222038
1-[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one
CID 40222039
2-[[2-(4-Fluorophenyl)morpholin-4-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 42884482
2-[[2-(4-Fluorophenyl)morpholin-4-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 42884861
1-[2-[2-(4-Fluorophenyl)morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one
CID 45817562

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(2R)-2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]pyrazin-2-one?
The IUPAC name of 1-methyl-3-[(2R)-2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]pyrazin-2-one (CID 99820216) is 1-methyl-3-[(2R)-2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]pyrazin-2-one.
What is the SMILES notation for 1-methyl-3-[(2R)-2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]pyrazin-2-one?
The canonical SMILES for 1-methyl-3-[(2R)-2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]pyrazin-2-one is Cn1ccnc(N2CCO[C@H](c3ccccc3C(F)(F)F)C2)c1=O.
What is the InChIKey of 1-methyl-3-[(2R)-2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]pyrazin-2-one?
The InChIKey is MBSDVIZNQQOFAF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H16F3N3O2/c1-21-7-6-20-14(15(21)23)22-8-9-24-13(10-22)11-4-2-3-5-12(11)16(17,18)19/h2-7,13H,8-10H2,1H3/t13-/m0/s1.
What are the key properties of 1-methyl-3-[(2R)-2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]pyrazin-2-one?
1-methyl-3-[(2R)-2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]pyrazin-2-one has a molecular weight of 339.32 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(2R)-2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]pyrazin-2-one is sourced from PubChem (CID 99820216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).