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

C16H26F3N3O2 — CID 163200037

IUPAC4-[(3R)-3-methylmorpholin-4-yl]-6-[2-(trifluoromethyl)piperidin-1-yl]piperidin-2-one
SMILESC[C@@H]1COCCN1C1CC(=O)NC(N2CCCCC2C(F)(F)F)C1
InChIInChI=1S/C16H26F3N3O2/c1-11-10-24-7-6-21(11)12-8-14(20-15(23)9-12)22-5-3-2-4-13(22)16(17,18)19/h11-14H,2-10H2,1H3,(H,20,23)/t11-,12?,13?,14?/m1/s1
InChIKeyNISXIPAMGZMLCW-NTXGFPLRSA-N
MW349.40 g/mol
LogP1.73
Rot. Bonds2

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

4-[(3R)-3-methylmorpholin-4-yl]-6-[2-(trifluoromethyl)piperidin-1-yl]piperidin-2-one (PubChem CID 163200037) has the molecular formula C16H26F3N3O2 and a molecular weight of 349.40 g/mol. Its IUPAC name is 4-[(3R)-3-methylmorpholin-4-yl]-6-[2-(trifluoromethyl)piperidin-1-yl]piperidin-2-one.

Molecular Properties

Compound Name4-[(3R)-3-methylmorpholin-4-yl]-6-[2-(trifluoromethyl)piperidin-1-yl]piperidin-2-one
PubChem CID163200037
Molecular FormulaC16H26F3N3O2
Molecular Weight349.40 g/mol
Exact Mass349.20
IUPAC Name4-[(3R)-3-methylmorpholin-4-yl]-6-[2-(trifluoromethyl)piperidin-1-yl]piperidin-2-one
SMILESC[C@@H]1COCCN1C1CC(=O)NC(N2CCCCC2C(F)(F)F)C1
InChIInChI=1S/C16H26F3N3O2/c1-11-10-24-7-6-21(11)12-8-14(20-15(23)9-12)22-5-3-2-4-13(22)16(17,18)19/h11-14H,2-10H2,1H3,(H,20,23)/t11-,12?,13?,14?/m1/s1
InChIKeyNISXIPAMGZMLCW-NTXGFPLRSA-N
XLogP1.73
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-methylmorpholin-4-yl]-6-[2-(trifluoromethyl)piperidin-1-yl]piperidin-2-one?
The IUPAC name of 4-[(3R)-3-methylmorpholin-4-yl]-6-[2-(trifluoromethyl)piperidin-1-yl]piperidin-2-one (CID 163200037) is 4-[(3R)-3-methylmorpholin-4-yl]-6-[2-(trifluoromethyl)piperidin-1-yl]piperidin-2-one.
What is the SMILES notation for 4-[(3R)-3-methylmorpholin-4-yl]-6-[2-(trifluoromethyl)piperidin-1-yl]piperidin-2-one?
The canonical SMILES for 4-[(3R)-3-methylmorpholin-4-yl]-6-[2-(trifluoromethyl)piperidin-1-yl]piperidin-2-one is C[C@@H]1COCCN1C1CC(=O)NC(N2CCCCC2C(F)(F)F)C1.
What is the InChIKey of 4-[(3R)-3-methylmorpholin-4-yl]-6-[2-(trifluoromethyl)piperidin-1-yl]piperidin-2-one?
The InChIKey is NISXIPAMGZMLCW-NTXGFPLRSA-N. The full InChI is InChI=1S/C16H26F3N3O2/c1-11-10-24-7-6-21(11)12-8-14(20-15(23)9-12)22-5-3-2-4-13(22)16(17,18)19/h11-14H,2-10H2,1H3,(H,20,23)/t11-,12?,13?,14?/m1/s1.
What are the key properties of 4-[(3R)-3-methylmorpholin-4-yl]-6-[2-(trifluoromethyl)piperidin-1-yl]piperidin-2-one?
4-[(3R)-3-methylmorpholin-4-yl]-6-[2-(trifluoromethyl)piperidin-1-yl]piperidin-2-one has a molecular weight of 349.40 g/mol, XLogP of 1.73, 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-[2-(trifluoromethyl)piperidin-1-yl]piperidin-2-one is sourced from PubChem (CID 163200037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).