1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[(3S)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanone

C18H30N4O2 — CID 100904592

About 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[(3S)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanone

1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[(3S)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanone (PubChem CID 100904592) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[(3S)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[(3S)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanone
• PubChem CID: 100904592
• Molecular Formula: C18H30N4O2
• Molecular Weight: 334.46 g/mol
• Exact Mass: 334.24
• IUPAC Name: 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[(3S)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanone
• SMILES: C[C@@H]1CN(C(=O)CN2CCC[C@@H](Cc3nccn3C)C2)C[C@@H](C)O1
• InChI: InChI=1S/C18H30N4O2/c1-14-10-22(11-15(2)24-14)18(23)13-21-7-4-5-16(12-21)9-17-19-6-8-20(17)3/h6,8,14-16H,4-5,7,9-13H2,1-3H3/t14-,15-,16+/m1/s1
• InChIKey: ODPCIIPVZRLGGX-OAGGEKHMSA-N
• XLogP: 1.31
• TPSA: 50.60 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	334.46
LogP ≤ 5	1.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[(3S)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanone?

The IUPAC name of 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[(3S)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanone (CID 100904592) is 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[(3S)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanone.

What is the SMILES notation for 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[(3S)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanone?

The canonical SMILES for 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[(3S)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanone is C[C@@H]1CN(C(=O)CN2CCC[C@@H](Cc3nccn3C)C2)C[C@@H](C)O1.

What is the InChIKey of 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[(3S)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanone?

The InChIKey is ODPCIIPVZRLGGX-OAGGEKHMSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-14-10-22(11-15(2)24-14)18(23)13-21-7-4-5-16(12-21)9-17-19-6-8-20(17)3/h6,8,14-16H,4-5,7,9-13H2,1-3H3/t14-,15-,16+/m1/s1.

What are the key properties of 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[(3S)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanone?

1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[(3S)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanone has a molecular weight of 334.46 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[(3S)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 100904592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).