[5-[1-[(5-fluoro-1-benzofuran-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]-morpholin-4-ylmethanone

C22H25FN4O3 — CID 128993503

About [5-[1-[(5-fluoro-1-benzofuran-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]-morpholin-4-ylmethanone

[5-[1-[(5-fluoro-1-benzofuran-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]-morpholin-4-ylmethanone (PubChem CID 128993503) has the molecular formula C22H25FN4O3 and a molecular weight of 412.47 g/mol. Its IUPAC name is [5-[1-[(5-fluoro-1-benzofuran-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

• Compound Name: [5-[1-[(5-fluoro-1-benzofuran-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]-morpholin-4-ylmethanone
• PubChem CID: 128993503
• Molecular Formula: C22H25FN4O3
• Molecular Weight: 412.47 g/mol
• Exact Mass: 412.19
• IUPAC Name: [5-[1-[(5-fluoro-1-benzofuran-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]-morpholin-4-ylmethanone
• SMILES: O=C(c1cn[nH]c1C1CCCN(Cc2cc3cc(F)ccc3o2)C1)N1CCOCC1
• InChI: InChI=1S/C22H25FN4O3/c23-17-3-4-20-16(10-17)11-18(30-20)14-26-5-1-2-15(13-26)21-19(12-24-25-21)22(28)27-6-8-29-9-7-27/h3-4,10-12,15H,1-2,5-9,13-14H2,(H,24,25)
• InChIKey: KXAPFIVTIZFQCJ-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 74.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.47
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [5-[1-[(5-fluoro-1-benzofuran-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]-morpholin-4-ylmethanone?

The IUPAC name of [5-[1-[(5-fluoro-1-benzofuran-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]-morpholin-4-ylmethanone (CID 128993503) is [5-[1-[(5-fluoro-1-benzofuran-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]-morpholin-4-ylmethanone.

What is the SMILES notation for [5-[1-[(5-fluoro-1-benzofuran-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]-morpholin-4-ylmethanone?

The canonical SMILES for [5-[1-[(5-fluoro-1-benzofuran-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]-morpholin-4-ylmethanone is O=C(c1cn[nH]c1C1CCCN(Cc2cc3cc(F)ccc3o2)C1)N1CCOCC1.

What is the InChIKey of [5-[1-[(5-fluoro-1-benzofuran-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]-morpholin-4-ylmethanone?

The InChIKey is KXAPFIVTIZFQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O3/c23-17-3-4-20-16(10-17)11-18(30-20)14-26-5-1-2-15(13-26)21-19(12-24-25-21)22(28)27-6-8-29-9-7-27/h3-4,10-12,15H,1-2,5-9,13-14H2,(H,24,25).

What are the key properties of [5-[1-[(5-fluoro-1-benzofuran-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]-morpholin-4-ylmethanone?

[5-[1-[(5-fluoro-1-benzofuran-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]-morpholin-4-ylmethanone has a molecular weight of 412.47 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[1-[(5-fluoro-1-benzofuran-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 128993503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).