2-[(3S)-3-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-1-morpholin-4-ylethanone

C18H24N6O2 — CID 95810893

IUPAC2-[(3S)-3-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-1-morpholin-4-ylethanone
SMILESO=C(CN1CCC[C@H](c2nccnc2-n2ccnc2)C1)N1CCOCC1
InChIInChI=1S/C18H24N6O2/c25-16(23-8-10-26-11-9-23)13-22-6-1-2-15(12-22)17-18(21-4-3-20-17)24-7-5-19-14-24/h3-5,7,14-15H,1-2,6,8-13H2/t15-/m0/s1
InChIKeyFWCMEIZRYUOGNA-HNNXBMFYSA-N
MW356.43 g/mol
LogP0.70
Rot. Bonds4

About 2-[(3S)-3-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-1-morpholin-4-ylethanone

2-[(3S)-3-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 95810893) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-[(3S)-3-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[(3S)-3-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-1-morpholin-4-ylethanone
PubChem CID95810893
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name2-[(3S)-3-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-1-morpholin-4-ylethanone
SMILESO=C(CN1CCC[C@H](c2nccnc2-n2ccnc2)C1)N1CCOCC1
InChIInChI=1S/C18H24N6O2/c25-16(23-8-10-26-11-9-23)13-22-6-1-2-15(12-22)17-18(21-4-3-20-17)24-7-5-19-14-24/h3-5,7,14-15H,1-2,6,8-13H2/t15-/m0/s1
InChIKeyFWCMEIZRYUOGNA-HNNXBMFYSA-N
XLogP0.70
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[(3S)-3-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-1-morpholin-4-ylethanone (CID 95810893) is 2-[(3S)-3-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[(3S)-3-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[(3S)-3-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-1-morpholin-4-ylethanone is O=C(CN1CCC[C@H](c2nccnc2-n2ccnc2)C1)N1CCOCC1.
What is the InChIKey of 2-[(3S)-3-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is FWCMEIZRYUOGNA-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H24N6O2/c25-16(23-8-10-26-11-9-23)13-22-6-1-2-15(12-22)17-18(21-4-3-20-17)24-7-5-19-14-24/h3-5,7,14-15H,1-2,6,8-13H2/t15-/m0/s1.
What are the key properties of 2-[(3S)-3-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-1-morpholin-4-ylethanone?
2-[(3S)-3-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 356.43 g/mol, XLogP of 0.70, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 95810893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).