4-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]morpholin-3-one

C16H19F3N2O4S — CID 68753683

IUPAC4-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]morpholin-3-one
SMILESO=C1COCCN1C1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C16H19F3N2O4S/c17-16(18,19)12-3-5-14(6-4-12)26(23,24)20-7-1-2-13(10-20)21-8-9-25-11-15(21)22/h3-6,13H,1-2,7-11H2
InChIKeyWJYAGQLPKNTDFZ-UHFFFAOYSA-N
MW392.40 g/mol
LogP1.72
Rot. Bonds3

About 4-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]morpholin-3-one

4-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]morpholin-3-one (PubChem CID 68753683) has the molecular formula C16H19F3N2O4S and a molecular weight of 392.40 g/mol. Its IUPAC name is 4-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]morpholin-3-one.

Molecular Properties

Compound Name4-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]morpholin-3-one
PubChem CID68753683
Molecular FormulaC16H19F3N2O4S
Molecular Weight392.40 g/mol
Exact Mass392.10
IUPAC Name4-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]morpholin-3-one
SMILESO=C1COCCN1C1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C16H19F3N2O4S/c17-16(18,19)12-3-5-14(6-4-12)26(23,24)20-7-1-2-13(10-20)21-8-9-25-11-15(21)22/h3-6,13H,1-2,7-11H2
InChIKeyWJYAGQLPKNTDFZ-UHFFFAOYSA-N
XLogP1.72
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.40
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]morpholin-3-one?
The IUPAC name of 4-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]morpholin-3-one (CID 68753683) is 4-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]morpholin-3-one.
What is the SMILES notation for 4-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]morpholin-3-one?
The canonical SMILES for 4-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]morpholin-3-one is O=C1COCCN1C1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of 4-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]morpholin-3-one?
The InChIKey is WJYAGQLPKNTDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O4S/c17-16(18,19)12-3-5-14(6-4-12)26(23,24)20-7-1-2-13(10-20)21-8-9-25-11-15(21)22/h3-6,13H,1-2,7-11H2.
What are the key properties of 4-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]morpholin-3-one?
4-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]morpholin-3-one has a molecular weight of 392.40 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]morpholin-3-one is sourced from PubChem (CID 68753683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).