About morpholin-4-yl-[6-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]pyrazin-2-yl]methanone
morpholin-4-yl-[6-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]pyrazin-2-yl]methanone (PubChem CID 97192527) has the molecular formula C17H24N4O3
and a molecular weight of 332.40 g/mol. Its IUPAC name is morpholin-4-yl-[6-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]pyrazin-2-yl]methanone.
Molecular Properties
| Compound Name | morpholin-4-yl-[6-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]pyrazin-2-yl]methanone |
| PubChem CID | 97192527 |
| Molecular Formula | C17H24N4O3 |
| Molecular Weight | 332.40 g/mol |
| Exact Mass | 332.18 |
| IUPAC Name | morpholin-4-yl-[6-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]pyrazin-2-yl]methanone |
| SMILES | O=C(c1cncc(N2CCC[C@]3(CCOC3)C2)n1)N1CCOCC1 |
| InChI | InChI=1S/C17H24N4O3/c22-16(20-5-8-23-9-6-20)14-10-18-11-15(19-14)21-4-1-2-17(12-21)3-7-24-13-17/h10-11H,1-9,12-13H2/t17-/m0/s1 |
| InChIKey | XNSRBHUFNWKIQF-KRWDZBQOSA-N |
| XLogP | 0.96 |
| TPSA | 67.79 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 24 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 332.40 |
| LogP ≤ 5 | 0.96 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of morpholin-4-yl-[6-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]pyrazin-2-yl]methanone?
The IUPAC name of morpholin-4-yl-[6-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]pyrazin-2-yl]methanone (CID 97192527) is morpholin-4-yl-[6-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]pyrazin-2-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[6-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]pyrazin-2-yl]methanone?
The canonical SMILES for morpholin-4-yl-[6-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]pyrazin-2-yl]methanone is O=C(c1cncc(N2CCC[C@]3(CCOC3)C2)n1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[6-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]pyrazin-2-yl]methanone?
The InChIKey is XNSRBHUFNWKIQF-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H24N4O3/c22-16(20-5-8-23-9-6-20)14-10-18-11-15(19-14)21-4-1-2-17(12-21)3-7-24-13-17/h10-11H,1-9,12-13H2/t17-/m0/s1.
What are the key properties of morpholin-4-yl-[6-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]pyrazin-2-yl]methanone?
morpholin-4-yl-[6-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]pyrazin-2-yl]methanone has a molecular weight of 332.40 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[6-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]pyrazin-2-yl]methanone is sourced from PubChem (CID 97192527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).