[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methanone

C16H24N4O2 — CID 36990550

IUPAC[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methanone
SMILESC[C@@H]1CN(C(=O)[C@@H]2CCCN(c3cnccn3)C2)C[C@H](C)O1
InChIInChI=1S/C16H24N4O2/c1-12-9-20(10-13(2)22-12)16(21)14-4-3-7-19(11-14)15-8-17-5-6-18-15/h5-6,8,12-14H,3-4,7,9-11H2,1-2H3/t12-,13+,14-/m1/s1
InChIKeyVVWBKUAUWFVIFQ-HZSPNIEDSA-N
MW304.39 g/mol
LogP1.33
Rot. Bonds2

About [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methanone

[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methanone (PubChem CID 36990550) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methanone.

Molecular Properties

Compound Name[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methanone
PubChem CID36990550
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methanone
SMILESC[C@@H]1CN(C(=O)[C@@H]2CCCN(c3cnccn3)C2)C[C@H](C)O1
InChIInChI=1S/C16H24N4O2/c1-12-9-20(10-13(2)22-12)16(21)14-4-3-7-19(11-14)15-8-17-5-6-18-15/h5-6,8,12-14H,3-4,7,9-11H2,1-2H3/t12-,13+,14-/m1/s1
InChIKeyVVWBKUAUWFVIFQ-HZSPNIEDSA-N
XLogP1.33
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methanone?
The IUPAC name of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methanone (CID 36990550) is [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methanone.
What is the SMILES notation for [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methanone?
The canonical SMILES for [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methanone is C[C@@H]1CN(C(=O)[C@@H]2CCCN(c3cnccn3)C2)C[C@H](C)O1.
What is the InChIKey of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methanone?
The InChIKey is VVWBKUAUWFVIFQ-HZSPNIEDSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-12-9-20(10-13(2)22-12)16(21)14-4-3-7-19(11-14)15-8-17-5-6-18-15/h5-6,8,12-14H,3-4,7,9-11H2,1-2H3/t12-,13+,14-/m1/s1.
What are the key properties of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methanone?
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methanone has a molecular weight of 304.39 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methanone is sourced from PubChem (CID 36990550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).