4-[1-(thiophen-3-ylmethyl)piperidin-4-yl]morpholin-3-one

C14H20N2O2S — CID 134788392

IUPAC4-[1-(thiophen-3-ylmethyl)piperidin-4-yl]morpholin-3-one
SMILESO=C1COCCN1C1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C14H20N2O2S/c17-14-10-18-7-6-16(14)13-1-4-15(5-2-13)9-12-3-8-19-11-12/h3,8,11,13H,1-2,4-7,9-10H2
InChIKeyUIPAVKXLFZBUSE-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.57
Rot. Bonds3

About 4-[1-(thiophen-3-ylmethyl)piperidin-4-yl]morpholin-3-one

4-[1-(thiophen-3-ylmethyl)piperidin-4-yl]morpholin-3-one (PubChem CID 134788392) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 4-[1-(thiophen-3-ylmethyl)piperidin-4-yl]morpholin-3-one.

Molecular Properties

Compound Name4-[1-(thiophen-3-ylmethyl)piperidin-4-yl]morpholin-3-one
PubChem CID134788392
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name4-[1-(thiophen-3-ylmethyl)piperidin-4-yl]morpholin-3-one
SMILESO=C1COCCN1C1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C14H20N2O2S/c17-14-10-18-7-6-16(14)13-1-4-15(5-2-13)9-12-3-8-19-11-12/h3,8,11,13H,1-2,4-7,9-10H2
InChIKeyUIPAVKXLFZBUSE-UHFFFAOYSA-N
XLogP1.57
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(thiophen-3-ylmethyl)piperidin-4-yl]morpholin-3-one?
The IUPAC name of 4-[1-(thiophen-3-ylmethyl)piperidin-4-yl]morpholin-3-one (CID 134788392) is 4-[1-(thiophen-3-ylmethyl)piperidin-4-yl]morpholin-3-one.
What is the SMILES notation for 4-[1-(thiophen-3-ylmethyl)piperidin-4-yl]morpholin-3-one?
The canonical SMILES for 4-[1-(thiophen-3-ylmethyl)piperidin-4-yl]morpholin-3-one is O=C1COCCN1C1CCN(Cc2ccsc2)CC1.
What is the InChIKey of 4-[1-(thiophen-3-ylmethyl)piperidin-4-yl]morpholin-3-one?
The InChIKey is UIPAVKXLFZBUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c17-14-10-18-7-6-16(14)13-1-4-15(5-2-13)9-12-3-8-19-11-12/h3,8,11,13H,1-2,4-7,9-10H2.
What are the key properties of 4-[1-(thiophen-3-ylmethyl)piperidin-4-yl]morpholin-3-one?
4-[1-(thiophen-3-ylmethyl)piperidin-4-yl]morpholin-3-one has a molecular weight of 280.39 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(thiophen-3-ylmethyl)piperidin-4-yl]morpholin-3-one is sourced from PubChem (CID 134788392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).