3-[2-(1,3-thiazol-2-yl)morpholine-4-carbonyl]-6-(trifluoromethyl)piperidin-2-one

C14H16F3N3O3S — CID 127304234

IUPAC3-[2-(1,3-thiazol-2-yl)morpholine-4-carbonyl]-6-(trifluoromethyl)piperidin-2-one
SMILESO=C1NC(C(F)(F)F)CCC1C(=O)N1CCOC(c2nccs2)C1
InChIInChI=1S/C14H16F3N3O3S/c15-14(16,17)10-2-1-8(11(21)19-10)13(22)20-4-5-23-9(7-20)12-18-3-6-24-12/h3,6,8-10H,1-2,4-5,7H2,(H,19,21)
InChIKeyBUADEESJQBSMCZ-UHFFFAOYSA-N
MW363.36 g/mol
LogP1.50
Rot. Bonds2

About 3-[2-(1,3-thiazol-2-yl)morpholine-4-carbonyl]-6-(trifluoromethyl)piperidin-2-one

3-[2-(1,3-thiazol-2-yl)morpholine-4-carbonyl]-6-(trifluoromethyl)piperidin-2-one (PubChem CID 127304234) has the molecular formula C14H16F3N3O3S and a molecular weight of 363.36 g/mol. Its IUPAC name is 3-[2-(1,3-thiazol-2-yl)morpholine-4-carbonyl]-6-(trifluoromethyl)piperidin-2-one.

Molecular Properties

Compound Name3-[2-(1,3-thiazol-2-yl)morpholine-4-carbonyl]-6-(trifluoromethyl)piperidin-2-one
PubChem CID127304234
Molecular FormulaC14H16F3N3O3S
Molecular Weight363.36 g/mol
Exact Mass363.09
IUPAC Name3-[2-(1,3-thiazol-2-yl)morpholine-4-carbonyl]-6-(trifluoromethyl)piperidin-2-one
SMILESO=C1NC(C(F)(F)F)CCC1C(=O)N1CCOC(c2nccs2)C1
InChIInChI=1S/C14H16F3N3O3S/c15-14(16,17)10-2-1-8(11(21)19-10)13(22)20-4-5-23-9(7-20)12-18-3-6-24-12/h3,6,8-10H,1-2,4-5,7H2,(H,19,21)
InChIKeyBUADEESJQBSMCZ-UHFFFAOYSA-N
XLogP1.50
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1,3-thiazol-2-yl)morpholine-4-carbonyl]-6-(trifluoromethyl)piperidin-2-one?
The IUPAC name of 3-[2-(1,3-thiazol-2-yl)morpholine-4-carbonyl]-6-(trifluoromethyl)piperidin-2-one (CID 127304234) is 3-[2-(1,3-thiazol-2-yl)morpholine-4-carbonyl]-6-(trifluoromethyl)piperidin-2-one.
What is the SMILES notation for 3-[2-(1,3-thiazol-2-yl)morpholine-4-carbonyl]-6-(trifluoromethyl)piperidin-2-one?
The canonical SMILES for 3-[2-(1,3-thiazol-2-yl)morpholine-4-carbonyl]-6-(trifluoromethyl)piperidin-2-one is O=C1NC(C(F)(F)F)CCC1C(=O)N1CCOC(c2nccs2)C1.
What is the InChIKey of 3-[2-(1,3-thiazol-2-yl)morpholine-4-carbonyl]-6-(trifluoromethyl)piperidin-2-one?
The InChIKey is BUADEESJQBSMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O3S/c15-14(16,17)10-2-1-8(11(21)19-10)13(22)20-4-5-23-9(7-20)12-18-3-6-24-12/h3,6,8-10H,1-2,4-5,7H2,(H,19,21).
What are the key properties of 3-[2-(1,3-thiazol-2-yl)morpholine-4-carbonyl]-6-(trifluoromethyl)piperidin-2-one?
3-[2-(1,3-thiazol-2-yl)morpholine-4-carbonyl]-6-(trifluoromethyl)piperidin-2-one has a molecular weight of 363.36 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,3-thiazol-2-yl)morpholine-4-carbonyl]-6-(trifluoromethyl)piperidin-2-one is sourced from PubChem (CID 127304234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).