4-[(3R)-3-methylmorpholin-4-yl]-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]piperidin-2-one

C15H24F3N3O2 — CID 163200050

IUPAC4-[(3R)-3-methylmorpholin-4-yl]-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]piperidin-2-one
SMILESC[C@@H]1COCCN1C1CC(=O)NC(N2CCC[C@H]2C(F)(F)F)C1
InChIInChI=1S/C15H24F3N3O2/c1-10-9-23-6-5-20(10)11-7-13(19-14(22)8-11)21-4-2-3-12(21)15(16,17)18/h10-13H,2-9H2,1H3,(H,19,22)/t10-,11?,12+,13?/m1/s1
InChIKeyIYLDUHFWEGDQBV-IGJPJIBNSA-N
MW335.37 g/mol
LogP1.34
Rot. Bonds2

About 4-[(3R)-3-methylmorpholin-4-yl]-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]piperidin-2-one

4-[(3R)-3-methylmorpholin-4-yl]-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]piperidin-2-one (PubChem CID 163200050) has the molecular formula C15H24F3N3O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 4-[(3R)-3-methylmorpholin-4-yl]-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]piperidin-2-one.

Molecular Properties

Compound Name4-[(3R)-3-methylmorpholin-4-yl]-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]piperidin-2-one
PubChem CID163200050
Molecular FormulaC15H24F3N3O2
Molecular Weight335.37 g/mol
Exact Mass335.18
IUPAC Name4-[(3R)-3-methylmorpholin-4-yl]-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]piperidin-2-one
SMILESC[C@@H]1COCCN1C1CC(=O)NC(N2CCC[C@H]2C(F)(F)F)C1
InChIInChI=1S/C15H24F3N3O2/c1-10-9-23-6-5-20(10)11-7-13(19-14(22)8-11)21-4-2-3-12(21)15(16,17)18/h10-13H,2-9H2,1H3,(H,19,22)/t10-,11?,12+,13?/m1/s1
InChIKeyIYLDUHFWEGDQBV-IGJPJIBNSA-N
XLogP1.34
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

US11179399, Example 25
CID 163200037
US11179399, Example 25_1
CID 163200038
US11179399, Example 25_2
CID 163200039
US11179399, Example 32
CID 163200048
US11179399, Example 35
CID 163200051
US11179399, Example 43_1
CID 163200064
US11179399, Example 43_2
CID 163200065
US11179399, Example 45
CID 163200068
US11179399, Example 49
CID 163200073
US11179399, Example 10
CID 163199996
US11179399, Example 24
CID 163200034
US11179399, Example 24_1
CID 163200035

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-methylmorpholin-4-yl]-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]piperidin-2-one?
The IUPAC name of 4-[(3R)-3-methylmorpholin-4-yl]-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]piperidin-2-one (CID 163200050) is 4-[(3R)-3-methylmorpholin-4-yl]-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]piperidin-2-one.
What is the SMILES notation for 4-[(3R)-3-methylmorpholin-4-yl]-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]piperidin-2-one?
The canonical SMILES for 4-[(3R)-3-methylmorpholin-4-yl]-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]piperidin-2-one is C[C@@H]1COCCN1C1CC(=O)NC(N2CCC[C@H]2C(F)(F)F)C1.
What is the InChIKey of 4-[(3R)-3-methylmorpholin-4-yl]-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]piperidin-2-one?
The InChIKey is IYLDUHFWEGDQBV-IGJPJIBNSA-N. The full InChI is InChI=1S/C15H24F3N3O2/c1-10-9-23-6-5-20(10)11-7-13(19-14(22)8-11)21-4-2-3-12(21)15(16,17)18/h10-13H,2-9H2,1H3,(H,19,22)/t10-,11?,12+,13?/m1/s1.
What are the key properties of 4-[(3R)-3-methylmorpholin-4-yl]-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]piperidin-2-one?
4-[(3R)-3-methylmorpholin-4-yl]-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]piperidin-2-one has a molecular weight of 335.37 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-methylmorpholin-4-yl]-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]piperidin-2-one is sourced from PubChem (CID 163200050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).