morpholin-4-yl-[4-[3-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanone

C15H18F3N3O3 — CID 155981081

IUPACmorpholin-4-yl-[4-[3-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanone
SMILESO=C(C1CN(c2ncccc2C(F)(F)F)CCO1)N1CCOCC1
InChIInChI=1S/C15H18F3N3O3/c16-15(17,18)11-2-1-3-19-13(11)21-6-9-24-12(10-21)14(22)20-4-7-23-8-5-20/h1-3,12H,4-10H2
InChIKeyOJZFJTHNIGOFOY-UHFFFAOYSA-N
MW345.32 g/mol
LogP1.16
Rot. Bonds2

About morpholin-4-yl-[4-[3-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanone

morpholin-4-yl-[4-[3-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanone (PubChem CID 155981081) has the molecular formula C15H18F3N3O3 and a molecular weight of 345.32 g/mol. Its IUPAC name is morpholin-4-yl-[4-[3-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[4-[3-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanone
PubChem CID155981081
Molecular FormulaC15H18F3N3O3
Molecular Weight345.32 g/mol
Exact Mass345.13
IUPAC Namemorpholin-4-yl-[4-[3-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanone
SMILESO=C(C1CN(c2ncccc2C(F)(F)F)CCO1)N1CCOCC1
InChIInChI=1S/C15H18F3N3O3/c16-15(17,18)11-2-1-3-19-13(11)21-6-9-24-12(10-21)14(22)20-4-7-23-8-5-20/h1-3,12H,4-10H2
InChIKeyOJZFJTHNIGOFOY-UHFFFAOYSA-N
XLogP1.16
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[4-[3-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanone?
The IUPAC name of morpholin-4-yl-[4-[3-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanone (CID 155981081) is morpholin-4-yl-[4-[3-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[4-[3-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanone?
The canonical SMILES for morpholin-4-yl-[4-[3-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanone is O=C(C1CN(c2ncccc2C(F)(F)F)CCO1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[4-[3-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanone?
The InChIKey is OJZFJTHNIGOFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O3/c16-15(17,18)11-2-1-3-19-13(11)21-6-9-24-12(10-21)14(22)20-4-7-23-8-5-20/h1-3,12H,4-10H2.
What are the key properties of morpholin-4-yl-[4-[3-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanone?
morpholin-4-yl-[4-[3-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanone has a molecular weight of 345.32 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[4-[3-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanone is sourced from PubChem (CID 155981081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).