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

C16H27F3N4O2 — CID 163200073

IUPAC4-[(3R)-3-methylmorpholin-4-yl]-6-[4-methyl-2-(trifluoromethyl)piperazin-1-yl]piperidin-2-one
SMILESC[C@@H]1COCCN1C1CC(=O)NC(N2CCN(C)CC2C(F)(F)F)C1
InChIInChI=1S/C16H27F3N4O2/c1-11-10-25-6-5-22(11)12-7-14(20-15(24)8-12)23-4-3-21(2)9-13(23)16(17,18)19/h11-14H,3-10H2,1-2H3,(H,20,24)/t11-,12?,13?,14?/m1/s1
InChIKeyMJVWCKBGLVQGLA-NTXGFPLRSA-N
MW364.41 g/mol
LogP0.49
Rot. Bonds2

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

4-[(3R)-3-methylmorpholin-4-yl]-6-[4-methyl-2-(trifluoromethyl)piperazin-1-yl]piperidin-2-one (PubChem CID 163200073) has the molecular formula C16H27F3N4O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 4-[(3R)-3-methylmorpholin-4-yl]-6-[4-methyl-2-(trifluoromethyl)piperazin-1-yl]piperidin-2-one.

Molecular Properties

Compound Name4-[(3R)-3-methylmorpholin-4-yl]-6-[4-methyl-2-(trifluoromethyl)piperazin-1-yl]piperidin-2-one
PubChem CID163200073
Molecular FormulaC16H27F3N4O2
Molecular Weight364.41 g/mol
Exact Mass364.21
IUPAC Name4-[(3R)-3-methylmorpholin-4-yl]-6-[4-methyl-2-(trifluoromethyl)piperazin-1-yl]piperidin-2-one
SMILESC[C@@H]1COCCN1C1CC(=O)NC(N2CCN(C)CC2C(F)(F)F)C1
InChIInChI=1S/C16H27F3N4O2/c1-11-10-25-6-5-22(11)12-7-14(20-15(24)8-12)23-4-3-21(2)9-13(23)16(17,18)19/h11-14H,3-10H2,1-2H3,(H,20,24)/t11-,12?,13?,14?/m1/s1
InChIKeyMJVWCKBGLVQGLA-NTXGFPLRSA-N
XLogP0.49
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 50.49
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-[4-methyl-2-(trifluoromethyl)piperazin-1-yl]piperidin-2-one?
The IUPAC name of 4-[(3R)-3-methylmorpholin-4-yl]-6-[4-methyl-2-(trifluoromethyl)piperazin-1-yl]piperidin-2-one (CID 163200073) is 4-[(3R)-3-methylmorpholin-4-yl]-6-[4-methyl-2-(trifluoromethyl)piperazin-1-yl]piperidin-2-one.
What is the SMILES notation for 4-[(3R)-3-methylmorpholin-4-yl]-6-[4-methyl-2-(trifluoromethyl)piperazin-1-yl]piperidin-2-one?
The canonical SMILES for 4-[(3R)-3-methylmorpholin-4-yl]-6-[4-methyl-2-(trifluoromethyl)piperazin-1-yl]piperidin-2-one is C[C@@H]1COCCN1C1CC(=O)NC(N2CCN(C)CC2C(F)(F)F)C1.
What is the InChIKey of 4-[(3R)-3-methylmorpholin-4-yl]-6-[4-methyl-2-(trifluoromethyl)piperazin-1-yl]piperidin-2-one?
The InChIKey is MJVWCKBGLVQGLA-NTXGFPLRSA-N. The full InChI is InChI=1S/C16H27F3N4O2/c1-11-10-25-6-5-22(11)12-7-14(20-15(24)8-12)23-4-3-21(2)9-13(23)16(17,18)19/h11-14H,3-10H2,1-2H3,(H,20,24)/t11-,12?,13?,14?/m1/s1.
What are the key properties of 4-[(3R)-3-methylmorpholin-4-yl]-6-[4-methyl-2-(trifluoromethyl)piperazin-1-yl]piperidin-2-one?
4-[(3R)-3-methylmorpholin-4-yl]-6-[4-methyl-2-(trifluoromethyl)piperazin-1-yl]piperidin-2-one has a molecular weight of 364.41 g/mol, XLogP of 0.49, 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-[4-methyl-2-(trifluoromethyl)piperazin-1-yl]piperidin-2-one is sourced from PubChem (CID 163200073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).