1-morpholin-4-yl-2-[(3R)-3-[6-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone

C21H30N6O2 — CID 95815815

About 1-morpholin-4-yl-2-[(3R)-3-[6-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone

1-morpholin-4-yl-2-[(3R)-3-[6-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone (PubChem CID 95815815) has the molecular formula C21H30N6O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[(3R)-3-[6-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-morpholin-4-yl-2-[(3R)-3-[6-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
• PubChem CID: 95815815
• Molecular Formula: C21H30N6O2
• Molecular Weight: 398.51 g/mol
• Exact Mass: 398.24
• IUPAC Name: 1-morpholin-4-yl-2-[(3R)-3-[6-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
• SMILES: CC(C)c1nccn1-c1cncc([C@@H]2CCCN(CC(=O)N3CCOCC3)C2)n1
• InChI: InChI=1S/C21H30N6O2/c1-16(2)21-23-5-7-27(21)19-13-22-12-18(24-19)17-4-3-6-25(14-17)15-20(28)26-8-10-29-11-9-26/h5,7,12-13,16-17H,3-4,6,8-11,14-15H2,1-2H3/t17-/m1/s1
• InChIKey: OTEWSGIGAWVLDD-QGZVFWFLSA-N
• XLogP: 1.82
• TPSA: 76.38 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.51
LogP ≤ 5	1.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[(3R)-3-[6-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone?

The IUPAC name of 1-morpholin-4-yl-2-[(3R)-3-[6-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone (CID 95815815) is 1-morpholin-4-yl-2-[(3R)-3-[6-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone.

What is the SMILES notation for 1-morpholin-4-yl-2-[(3R)-3-[6-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone?

The canonical SMILES for 1-morpholin-4-yl-2-[(3R)-3-[6-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone is CC(C)c1nccn1-c1cncc([C@@H]2CCCN(CC(=O)N3CCOCC3)C2)n1.

What is the InChIKey of 1-morpholin-4-yl-2-[(3R)-3-[6-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone?

The InChIKey is OTEWSGIGAWVLDD-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H30N6O2/c1-16(2)21-23-5-7-27(21)19-13-22-12-18(24-19)17-4-3-6-25(14-17)15-20(28)26-8-10-29-11-9-26/h5,7,12-13,16-17H,3-4,6,8-11,14-15H2,1-2H3/t17-/m1/s1.

What are the key properties of 1-morpholin-4-yl-2-[(3R)-3-[6-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone?

1-morpholin-4-yl-2-[(3R)-3-[6-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 398.51 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-morpholin-4-yl-2-[(3R)-3-[6-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95815815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).