4-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]morpholin-3-one

C13H19N3O2S — CID 134791077

IUPAC4-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]morpholin-3-one
SMILESO=C1COCCN1C1CCN(Cc2cncs2)CC1
InChIInChI=1S/C13H19N3O2S/c17-13-9-18-6-5-16(13)11-1-3-15(4-2-11)8-12-7-14-10-19-12/h7,10-11H,1-6,8-9H2
InChIKeyCKHXVJMRABIPAT-UHFFFAOYSA-N
MW281.38 g/mol
LogP0.97
Rot. Bonds3

About 4-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]morpholin-3-one

4-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]morpholin-3-one (PubChem CID 134791077) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 4-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]morpholin-3-one.

Molecular Properties

Compound Name4-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]morpholin-3-one
PubChem CID134791077
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name4-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]morpholin-3-one
SMILESO=C1COCCN1C1CCN(Cc2cncs2)CC1
InChIInChI=1S/C13H19N3O2S/c17-13-9-18-6-5-16(13)11-1-3-15(4-2-11)8-12-7-14-10-19-12/h7,10-11H,1-6,8-9H2
InChIKeyCKHXVJMRABIPAT-UHFFFAOYSA-N
XLogP0.97
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]morpholin-3-one?
The IUPAC name of 4-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]morpholin-3-one (CID 134791077) is 4-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]morpholin-3-one.
What is the SMILES notation for 4-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]morpholin-3-one?
The canonical SMILES for 4-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]morpholin-3-one is O=C1COCCN1C1CCN(Cc2cncs2)CC1.
What is the InChIKey of 4-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]morpholin-3-one?
The InChIKey is CKHXVJMRABIPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c17-13-9-18-6-5-16(13)11-1-3-15(4-2-11)8-12-7-14-10-19-12/h7,10-11H,1-6,8-9H2.
What are the key properties of 4-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]morpholin-3-one?
4-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]morpholin-3-one has a molecular weight of 281.38 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]morpholin-3-one is sourced from PubChem (CID 134791077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).