(2S,5R)-2,5-dimethyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]morpholine-4-carboxamide

C15H26F3N3O2 — CID 99823277

IUPAC(2S,5R)-2,5-dimethyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]morpholine-4-carboxamide
SMILESC[C@@H]1CO[C@@H](C)CN1C(=O)NCC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C15H26F3N3O2/c1-11-9-23-12(2)8-21(11)14(22)19-7-13-3-5-20(6-4-13)10-15(16,17)18/h11-13H,3-10H2,1-2H3,(H,19,22)/t11-,12+/m1/s1
InChIKeyBZKXFBZRYCJNLY-NEPJUHHUSA-N
MW337.39 g/mol
LogP2.08
Rot. Bonds3

About (2S,5R)-2,5-dimethyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]morpholine-4-carboxamide

(2S,5R)-2,5-dimethyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]morpholine-4-carboxamide (PubChem CID 99823277) has the molecular formula C15H26F3N3O2 and a molecular weight of 337.39 g/mol. Its IUPAC name is (2S,5R)-2,5-dimethyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S,5R)-2,5-dimethyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]morpholine-4-carboxamide
PubChem CID99823277
Molecular FormulaC15H26F3N3O2
Molecular Weight337.39 g/mol
Exact Mass337.20
IUPAC Name(2S,5R)-2,5-dimethyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]morpholine-4-carboxamide
SMILESC[C@@H]1CO[C@@H](C)CN1C(=O)NCC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C15H26F3N3O2/c1-11-9-23-12(2)8-21(11)14(22)19-7-13-3-5-20(6-4-13)10-15(16,17)18/h11-13H,3-10H2,1-2H3,(H,19,22)/t11-,12+/m1/s1
InChIKeyBZKXFBZRYCJNLY-NEPJUHHUSA-N
XLogP2.08
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2,5-dimethyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]morpholine-4-carboxamide?
The IUPAC name of (2S,5R)-2,5-dimethyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]morpholine-4-carboxamide (CID 99823277) is (2S,5R)-2,5-dimethyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]morpholine-4-carboxamide.
What is the SMILES notation for (2S,5R)-2,5-dimethyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]morpholine-4-carboxamide?
The canonical SMILES for (2S,5R)-2,5-dimethyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]morpholine-4-carboxamide is C[C@@H]1CO[C@@H](C)CN1C(=O)NCC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of (2S,5R)-2,5-dimethyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]morpholine-4-carboxamide?
The InChIKey is BZKXFBZRYCJNLY-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H26F3N3O2/c1-11-9-23-12(2)8-21(11)14(22)19-7-13-3-5-20(6-4-13)10-15(16,17)18/h11-13H,3-10H2,1-2H3,(H,19,22)/t11-,12+/m1/s1.
What are the key properties of (2S,5R)-2,5-dimethyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]morpholine-4-carboxamide?
(2S,5R)-2,5-dimethyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]morpholine-4-carboxamide has a molecular weight of 337.39 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2,5-dimethyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 99823277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).