[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone

C15H20F3N3O2S — CID 126822125

IUPAC[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone
SMILESO=C(c1csc(C(F)(F)F)n1)N1CCC[C@H](CN2CCOCC2)C1
InChIInChI=1S/C15H20F3N3O2S/c16-15(17,18)14-19-12(10-24-14)13(22)21-3-1-2-11(9-21)8-20-4-6-23-7-5-20/h10-11H,1-9H2/t11-/m1/s1
InChIKeyCCFDOPQXVLUJML-LLVKDONJSA-N
MW363.41 g/mol
LogP2.35
Rot. Bonds3

About [(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone

[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone (PubChem CID 126822125) has the molecular formula C15H20F3N3O2S and a molecular weight of 363.41 g/mol. Its IUPAC name is [(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone
PubChem CID126822125
Molecular FormulaC15H20F3N3O2S
Molecular Weight363.41 g/mol
Exact Mass363.12
IUPAC Name[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone
SMILESO=C(c1csc(C(F)(F)F)n1)N1CCC[C@H](CN2CCOCC2)C1
InChIInChI=1S/C15H20F3N3O2S/c16-15(17,18)14-19-12(10-24-14)13(22)21-3-1-2-11(9-21)8-20-4-6-23-7-5-20/h10-11H,1-9H2/t11-/m1/s1
InChIKeyCCFDOPQXVLUJML-LLVKDONJSA-N
XLogP2.35
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone?
The IUPAC name of [(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone (CID 126822125) is [(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for [(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for [(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone is O=C(c1csc(C(F)(F)F)n1)N1CCC[C@H](CN2CCOCC2)C1.
What is the InChIKey of [(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone?
The InChIKey is CCFDOPQXVLUJML-LLVKDONJSA-N. The full InChI is InChI=1S/C15H20F3N3O2S/c16-15(17,18)14-19-12(10-24-14)13(22)21-3-1-2-11(9-21)8-20-4-6-23-7-5-20/h10-11H,1-9H2/t11-/m1/s1.
What are the key properties of [(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone?
[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone has a molecular weight of 363.41 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 126822125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).