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

C21H27FN4O3 — CID 125175144

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

(6S)-6-[(4-fluorophenoxy)methyl]-4-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]morpholin-3-one (PubChem CID 125175144) has the molecular formula C21H27FN4O3 and a molecular weight of 402.47 g/mol. Its IUPAC name is (6S)-6-[(4-fluorophenoxy)methyl]-4-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]morpholin-3-one.

Molecular Properties

• Compound Name: (6S)-6-[(4-fluorophenoxy)methyl]-4-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]morpholin-3-one
• PubChem CID: 125175144
• Molecular Formula: C21H27FN4O3
• Molecular Weight: 402.47 g/mol
• Exact Mass: 402.21
• IUPAC Name: (6S)-6-[(4-fluorophenoxy)methyl]-4-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]morpholin-3-one
• SMILES: O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CCN(CCn2cccn2)CC1
• InChI: InChI=1S/C21H27FN4O3/c22-17-2-4-19(5-3-17)28-15-20-14-26(21(27)16-29-20)18-6-10-24(11-7-18)12-13-25-9-1-8-23-25/h1-5,8-9,18,20H,6-7,10-16H2/t20-/m0/s1
• InChIKey: HWJZUFFETJSZBX-FQEVSTJZSA-N
• XLogP: 1.79
• TPSA: 59.83 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.47
LogP ≤ 5	1.79
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-pyrazol-1-ylethyl)piperidin-4-yl]morpholin-3-one?

The IUPAC name of (6S)-6-[(4-fluorophenoxy)methyl]-4-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]morpholin-3-one (CID 125175144) is (6S)-6-[(4-fluorophenoxy)methyl]-4-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]morpholin-3-one.

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

The canonical SMILES for (6S)-6-[(4-fluorophenoxy)methyl]-4-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]morpholin-3-one is O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CCN(CCn2cccn2)CC1.

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

The InChIKey is HWJZUFFETJSZBX-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H27FN4O3/c22-17-2-4-19(5-3-17)28-15-20-14-26(21(27)16-29-20)18-6-10-24(11-7-18)12-13-25-9-1-8-23-25/h1-5,8-9,18,20H,6-7,10-16H2/t20-/m0/s1.

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

(6S)-6-[(4-fluorophenoxy)methyl]-4-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]morpholin-3-one has a molecular weight of 402.47 g/mol, XLogP of 1.79, 7 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-pyrazol-1-ylethyl)piperidin-4-yl]morpholin-3-one is sourced from PubChem (CID 125175144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).