(6R)-6-[(4-fluorophenoxy)methyl]-4-[1-[(3-methylpyrazin-2-yl)methyl]piperidin-4-yl]morpholin-3-one

C22H27FN4O3 — CID 125176828

About (6R)-6-[(4-fluorophenoxy)methyl]-4-[1-[(3-methylpyrazin-2-yl)methyl]piperidin-4-yl]morpholin-3-one

(6R)-6-[(4-fluorophenoxy)methyl]-4-[1-[(3-methylpyrazin-2-yl)methyl]piperidin-4-yl]morpholin-3-one (PubChem CID 125176828) has the molecular formula C22H27FN4O3 and a molecular weight of 414.48 g/mol. Its IUPAC name is (6R)-6-[(4-fluorophenoxy)methyl]-4-[1-[(3-methylpyrazin-2-yl)methyl]piperidin-4-yl]morpholin-3-one.

Molecular Properties

• Compound Name: (6R)-6-[(4-fluorophenoxy)methyl]-4-[1-[(3-methylpyrazin-2-yl)methyl]piperidin-4-yl]morpholin-3-one
• PubChem CID: 125176828
• Molecular Formula: C22H27FN4O3
• Molecular Weight: 414.48 g/mol
• Exact Mass: 414.21
• IUPAC Name: (6R)-6-[(4-fluorophenoxy)methyl]-4-[1-[(3-methylpyrazin-2-yl)methyl]piperidin-4-yl]morpholin-3-one
• SMILES: Cc1nccnc1CN1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1
• InChI: InChI=1S/C22H27FN4O3/c1-16-21(25-9-8-24-16)13-26-10-6-18(7-11-26)27-12-20(30-15-22(27)28)14-29-19-4-2-17(23)3-5-19/h2-5,8-9,18,20H,6-7,10-15H2,1H3/t20-/m1/s1
• InChIKey: OLYIKKMFBOJGQZ-HXUWFJFHSA-N
• XLogP: 2.19
• TPSA: 67.79 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.48
LogP ≤ 5	2.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (6R)-6-[(4-fluorophenoxy)methyl]-4-[1-[(3-methylpyrazin-2-yl)methyl]piperidin-4-yl]morpholin-3-one?

The IUPAC name of (6R)-6-[(4-fluorophenoxy)methyl]-4-[1-[(3-methylpyrazin-2-yl)methyl]piperidin-4-yl]morpholin-3-one (CID 125176828) is (6R)-6-[(4-fluorophenoxy)methyl]-4-[1-[(3-methylpyrazin-2-yl)methyl]piperidin-4-yl]morpholin-3-one.

What is the SMILES notation for (6R)-6-[(4-fluorophenoxy)methyl]-4-[1-[(3-methylpyrazin-2-yl)methyl]piperidin-4-yl]morpholin-3-one?

The canonical SMILES for (6R)-6-[(4-fluorophenoxy)methyl]-4-[1-[(3-methylpyrazin-2-yl)methyl]piperidin-4-yl]morpholin-3-one is Cc1nccnc1CN1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1.

What is the InChIKey of (6R)-6-[(4-fluorophenoxy)methyl]-4-[1-[(3-methylpyrazin-2-yl)methyl]piperidin-4-yl]morpholin-3-one?

The InChIKey is OLYIKKMFBOJGQZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H27FN4O3/c1-16-21(25-9-8-24-16)13-26-10-6-18(7-11-26)27-12-20(30-15-22(27)28)14-29-19-4-2-17(23)3-5-19/h2-5,8-9,18,20H,6-7,10-15H2,1H3/t20-/m1/s1.

What are the key properties of (6R)-6-[(4-fluorophenoxy)methyl]-4-[1-[(3-methylpyrazin-2-yl)methyl]piperidin-4-yl]morpholin-3-one?

(6R)-6-[(4-fluorophenoxy)methyl]-4-[1-[(3-methylpyrazin-2-yl)methyl]piperidin-4-yl]morpholin-3-one has a molecular weight of 414.48 g/mol, XLogP of 2.19, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-6-[(4-fluorophenoxy)methyl]-4-[1-[(3-methylpyrazin-2-yl)methyl]piperidin-4-yl]morpholin-3-one is sourced from PubChem (CID 125176828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).