4-[(3R)-3-methylmorpholin-4-yl]-6-[(3R)-3-(trifluoromethyl)morpholin-4-yl]piperidin-2-one

C15H24F3N3O3 — CID 163200065

IUPAC4-[(3R)-3-methylmorpholin-4-yl]-6-[(3R)-3-(trifluoromethyl)morpholin-4-yl]piperidin-2-one
SMILESC[C@@H]1COCCN1C1CC(=O)NC(N2CCOC[C@@H]2C(F)(F)F)C1
InChIInChI=1S/C15H24F3N3O3/c1-10-8-23-4-2-20(10)11-6-13(19-14(22)7-11)21-3-5-24-9-12(21)15(16,17)18/h10-13H,2-9H2,1H3,(H,19,22)/t10-,11?,12-,13?/m1/s1
InChIKeyKUANMDFHWKOINC-CQLXCSJHSA-N
MW351.37 g/mol
LogP0.57
Rot. Bonds2

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

4-[(3R)-3-methylmorpholin-4-yl]-6-[(3R)-3-(trifluoromethyl)morpholin-4-yl]piperidin-2-one (PubChem CID 163200065) has the molecular formula C15H24F3N3O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is 4-[(3R)-3-methylmorpholin-4-yl]-6-[(3R)-3-(trifluoromethyl)morpholin-4-yl]piperidin-2-one.

Molecular Properties

Compound Name4-[(3R)-3-methylmorpholin-4-yl]-6-[(3R)-3-(trifluoromethyl)morpholin-4-yl]piperidin-2-one
PubChem CID163200065
Molecular FormulaC15H24F3N3O3
Molecular Weight351.37 g/mol
Exact Mass351.18
IUPAC Name4-[(3R)-3-methylmorpholin-4-yl]-6-[(3R)-3-(trifluoromethyl)morpholin-4-yl]piperidin-2-one
SMILESC[C@@H]1COCCN1C1CC(=O)NC(N2CCOC[C@@H]2C(F)(F)F)C1
InChIInChI=1S/C15H24F3N3O3/c1-10-8-23-4-2-20(10)11-6-13(19-14(22)7-11)21-3-5-24-9-12(21)15(16,17)18/h10-13H,2-9H2,1H3,(H,19,22)/t10-,11?,12-,13?/m1/s1
InChIKeyKUANMDFHWKOINC-CQLXCSJHSA-N
XLogP0.57
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-methylmorpholin-4-yl]-6-[(3R)-3-(trifluoromethyl)morpholin-4-yl]piperidin-2-one?
The IUPAC name of 4-[(3R)-3-methylmorpholin-4-yl]-6-[(3R)-3-(trifluoromethyl)morpholin-4-yl]piperidin-2-one (CID 163200065) is 4-[(3R)-3-methylmorpholin-4-yl]-6-[(3R)-3-(trifluoromethyl)morpholin-4-yl]piperidin-2-one.
What is the SMILES notation for 4-[(3R)-3-methylmorpholin-4-yl]-6-[(3R)-3-(trifluoromethyl)morpholin-4-yl]piperidin-2-one?
The canonical SMILES for 4-[(3R)-3-methylmorpholin-4-yl]-6-[(3R)-3-(trifluoromethyl)morpholin-4-yl]piperidin-2-one is C[C@@H]1COCCN1C1CC(=O)NC(N2CCOC[C@@H]2C(F)(F)F)C1.
What is the InChIKey of 4-[(3R)-3-methylmorpholin-4-yl]-6-[(3R)-3-(trifluoromethyl)morpholin-4-yl]piperidin-2-one?
The InChIKey is KUANMDFHWKOINC-CQLXCSJHSA-N. The full InChI is InChI=1S/C15H24F3N3O3/c1-10-8-23-4-2-20(10)11-6-13(19-14(22)7-11)21-3-5-24-9-12(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-[(3R)-3-(trifluoromethyl)morpholin-4-yl]piperidin-2-one?
4-[(3R)-3-methylmorpholin-4-yl]-6-[(3R)-3-(trifluoromethyl)morpholin-4-yl]piperidin-2-one has a molecular weight of 351.37 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-methylmorpholin-4-yl]-6-[(3R)-3-(trifluoromethyl)morpholin-4-yl]piperidin-2-one is sourced from PubChem (CID 163200065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).