pyrrolidin-1-yl-[4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanone

C15H18F3N3O2 — CID 155799944

IUPACpyrrolidin-1-yl-[4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanone
SMILESO=C(C1CN(c2cccc(C(F)(F)F)n2)CCO1)N1CCCC1
InChIInChI=1S/C15H18F3N3O2/c16-15(17,18)12-4-3-5-13(19-12)21-8-9-23-11(10-21)14(22)20-6-1-2-7-20/h3-5,11H,1-2,6-10H2
InChIKeyXMLAQQINKCACQH-UHFFFAOYSA-N
MW329.32 g/mol
LogP1.93
Rot. Bonds2

About pyrrolidin-1-yl-[4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanone

pyrrolidin-1-yl-[4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanone (PubChem CID 155799944) has the molecular formula C15H18F3N3O2 and a molecular weight of 329.32 g/mol. Its IUPAC name is pyrrolidin-1-yl-[4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl-[4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanone
PubChem CID155799944
Molecular FormulaC15H18F3N3O2
Molecular Weight329.32 g/mol
Exact Mass329.14
IUPAC Namepyrrolidin-1-yl-[4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanone
SMILESO=C(C1CN(c2cccc(C(F)(F)F)n2)CCO1)N1CCCC1
InChIInChI=1S/C15H18F3N3O2/c16-15(17,18)12-4-3-5-13(19-12)21-8-9-23-11(10-21)14(22)20-6-1-2-7-20/h3-5,11H,1-2,6-10H2
InChIKeyXMLAQQINKCACQH-UHFFFAOYSA-N
XLogP1.93
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl-[4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanone?
The IUPAC name of pyrrolidin-1-yl-[4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanone (CID 155799944) is pyrrolidin-1-yl-[4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanone.
What is the SMILES notation for pyrrolidin-1-yl-[4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanone?
The canonical SMILES for pyrrolidin-1-yl-[4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanone is O=C(C1CN(c2cccc(C(F)(F)F)n2)CCO1)N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl-[4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanone?
The InChIKey is XMLAQQINKCACQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O2/c16-15(17,18)12-4-3-5-13(19-12)21-8-9-23-11(10-21)14(22)20-6-1-2-7-20/h3-5,11H,1-2,6-10H2.
What are the key properties of pyrrolidin-1-yl-[4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanone?
pyrrolidin-1-yl-[4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanone has a molecular weight of 329.32 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl-[4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanone is sourced from PubChem (CID 155799944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).