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

C22H29FN4O3 — CID 118760835

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

4-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one (PubChem CID 118760835) has the molecular formula C22H29FN4O3 and a molecular weight of 416.50 g/mol. Its IUPAC name is 4-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one.

Molecular Properties

• Compound Name: 4-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one
• PubChem CID: 118760835
• Molecular Formula: C22H29FN4O3
• Molecular Weight: 416.50 g/mol
• Exact Mass: 416.22
• IUPAC Name: 4-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one
• SMILES: Cc1nn(C)cc1CN1CCC(N2CC(COc3ccc(F)cc3)OCC2=O)CC1
• InChI: InChI=1S/C22H29FN4O3/c1-16-17(11-25(2)24-16)12-26-9-7-19(8-10-26)27-13-21(30-15-22(27)28)14-29-20-5-3-18(23)4-6-20/h3-6,11,19,21H,7-10,12-15H2,1-2H3
• InChIKey: XLKZWCYRTZPKOJ-UHFFFAOYSA-N
• XLogP: 2.14
• TPSA: 59.83 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.50
LogP ≤ 5	2.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one (CID 118760835) is 4-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one.

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

The canonical SMILES for 4-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one is Cc1nn(C)cc1CN1CCC(N2CC(COc3ccc(F)cc3)OCC2=O)CC1.

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

The InChIKey is XLKZWCYRTZPKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN4O3/c1-16-17(11-25(2)24-16)12-26-9-7-19(8-10-26)27-13-21(30-15-22(27)28)14-29-20-5-3-18(23)4-6-20/h3-6,11,19,21H,7-10,12-15H2,1-2H3.

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

4-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one has a molecular weight of 416.50 g/mol, XLogP of 2.14, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one is sourced from PubChem (CID 118760835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).