(6S)-6-[(4-fluorophenoxy)methyl]-4-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]morpholin-3-one

C21H26FN3O4 — CID 125179516

About (6S)-6-[(4-fluorophenoxy)methyl]-4-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]morpholin-3-one

(6S)-6-[(4-fluorophenoxy)methyl]-4-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]morpholin-3-one (PubChem CID 125179516) has the molecular formula C21H26FN3O4 and a molecular weight of 403.45 g/mol. Its IUPAC name is (6S)-6-[(4-fluorophenoxy)methyl]-4-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]morpholin-3-one.

Molecular Properties

• Compound Name: (6S)-6-[(4-fluorophenoxy)methyl]-4-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]morpholin-3-one
• PubChem CID: 125179516
• Molecular Formula: C21H26FN3O4
• Molecular Weight: 403.45 g/mol
• Exact Mass: 403.19
• IUPAC Name: (6S)-6-[(4-fluorophenoxy)methyl]-4-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]morpholin-3-one
• SMILES: Cc1nc(CN2CCC(N3C[C@@H](COc4ccc(F)cc4)OCC3=O)CC2)co1
• InChI: InChI=1S/C21H26FN3O4/c1-15-23-17(12-27-15)10-24-8-6-18(7-9-24)25-11-20(29-14-21(25)26)13-28-19-4-2-16(22)3-5-19/h2-5,12,18,20H,6-11,13-14H2,1H3/t20-/m0/s1
• InChIKey: WOPOPAYCQLUCGE-FQEVSTJZSA-N
• XLogP: 2.39
• TPSA: 68.04 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.45
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (6S)-6-[(4-fluorophenoxy)methyl]-4-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]morpholin-3-one (CID 125179516) is (6S)-6-[(4-fluorophenoxy)methyl]-4-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]morpholin-3-one.

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

The canonical SMILES for (6S)-6-[(4-fluorophenoxy)methyl]-4-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]morpholin-3-one is Cc1nc(CN2CCC(N3C[C@@H](COc4ccc(F)cc4)OCC3=O)CC2)co1.

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

The InChIKey is WOPOPAYCQLUCGE-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H26FN3O4/c1-15-23-17(12-27-15)10-24-8-6-18(7-9-24)25-11-20(29-14-21(25)26)13-28-19-4-2-16(22)3-5-19/h2-5,12,18,20H,6-11,13-14H2,1H3/t20-/m0/s1.

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

(6S)-6-[(4-fluorophenoxy)methyl]-4-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]morpholin-3-one has a molecular weight of 403.45 g/mol, XLogP of 2.39, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-6-[(4-fluorophenoxy)methyl]-4-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]morpholin-3-one is sourced from PubChem (CID 125179516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).