[(3R,5S)-5-methylpiperidin-3-yl]-morpholin-4-ylmethanone

C11H20N2O2 — CID 163985347

IUPAC[(3R,5S)-5-methylpiperidin-3-yl]-morpholin-4-ylmethanone
SMILESC[C@@H]1CNC[C@H](C(=O)N2CCOCC2)C1
InChIInChI=1S/C11H20N2O2/c1-9-6-10(8-12-7-9)11(14)13-2-4-15-5-3-13/h9-10,12H,2-8H2,1H3/t9-,10+/m0/s1
InChIKeyTVURJAUWTHOGNN-VHSXEESVSA-N
MW212.29 g/mol
LogP0.09
Rot. Bonds1

About [(3R,5S)-5-methylpiperidin-3-yl]-morpholin-4-ylmethanone

[(3R,5S)-5-methylpiperidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 163985347) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is [(3R,5S)-5-methylpiperidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(3R,5S)-5-methylpiperidin-3-yl]-morpholin-4-ylmethanone
PubChem CID163985347
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name[(3R,5S)-5-methylpiperidin-3-yl]-morpholin-4-ylmethanone
SMILESC[C@@H]1CNC[C@H](C(=O)N2CCOCC2)C1
InChIInChI=1S/C11H20N2O2/c1-9-6-10(8-12-7-9)11(14)13-2-4-15-5-3-13/h9-10,12H,2-8H2,1H3/t9-,10+/m0/s1
InChIKeyTVURJAUWTHOGNN-VHSXEESVSA-N
XLogP0.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R,5S)-5-methylpiperidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(3R,5S)-5-methylpiperidin-3-yl]-morpholin-4-ylmethanone (CID 163985347) is [(3R,5S)-5-methylpiperidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(3R,5S)-5-methylpiperidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(3R,5S)-5-methylpiperidin-3-yl]-morpholin-4-ylmethanone is C[C@@H]1CNC[C@H](C(=O)N2CCOCC2)C1.
What is the InChIKey of [(3R,5S)-5-methylpiperidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is TVURJAUWTHOGNN-VHSXEESVSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-9-6-10(8-12-7-9)11(14)13-2-4-15-5-3-13/h9-10,12H,2-8H2,1H3/t9-,10+/m0/s1.
What are the key properties of [(3R,5S)-5-methylpiperidin-3-yl]-morpholin-4-ylmethanone?
[(3R,5S)-5-methylpiperidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 212.29 g/mol, XLogP of 0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5S)-5-methylpiperidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 163985347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).