1-[5-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-1-hydroxypropyl]-2,3-dihydroindol-1-yl]propan-1-one

C26H30FN3O3 — CID 166524096

About 1-[5-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-1-hydroxypropyl]-2,3-dihydroindol-1-yl]propan-1-one

1-[5-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-1-hydroxypropyl]-2,3-dihydroindol-1-yl]propan-1-one (PubChem CID 166524096) has the molecular formula C26H30FN3O3 and a molecular weight of 451.54 g/mol. Its IUPAC name is 1-[5-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-1-hydroxypropyl]-2,3-dihydroindol-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 1-[5-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-1-hydroxypropyl]-2,3-dihydroindol-1-yl]propan-1-one
• PubChem CID: 166524096
• Molecular Formula: C26H30FN3O3
• Molecular Weight: 451.54 g/mol
• Exact Mass: 451.23
• IUPAC Name: 1-[5-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-1-hydroxypropyl]-2,3-dihydroindol-1-yl]propan-1-one
• SMILES: CCC(=O)N1CCc2cc(C(O)CCN3CCC(c4noc5cc(F)ccc45)CC3)ccc21
• InChI: InChI=1S/C26H30FN3O3/c1-2-25(32)30-14-9-18-15-19(3-6-22(18)30)23(31)10-13-29-11-7-17(8-12-29)26-21-5-4-20(27)16-24(21)33-28-26/h3-6,15-17,23,31H,2,7-14H2,1H3
• InChIKey: WQMHUVQJCAQEJL-UHFFFAOYSA-N
• XLogP: 4.57
• TPSA: 69.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.54
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-1-hydroxypropyl]-2,3-dihydroindol-1-yl]propan-1-one?

The IUPAC name of 1-[5-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-1-hydroxypropyl]-2,3-dihydroindol-1-yl]propan-1-one (CID 166524096) is 1-[5-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-1-hydroxypropyl]-2,3-dihydroindol-1-yl]propan-1-one.

What is the SMILES notation for 1-[5-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-1-hydroxypropyl]-2,3-dihydroindol-1-yl]propan-1-one?

The canonical SMILES for 1-[5-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-1-hydroxypropyl]-2,3-dihydroindol-1-yl]propan-1-one is CCC(=O)N1CCc2cc(C(O)CCN3CCC(c4noc5cc(F)ccc45)CC3)ccc21.

What is the InChIKey of 1-[5-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-1-hydroxypropyl]-2,3-dihydroindol-1-yl]propan-1-one?

The InChIKey is WQMHUVQJCAQEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN3O3/c1-2-25(32)30-14-9-18-15-19(3-6-22(18)30)23(31)10-13-29-11-7-17(8-12-29)26-21-5-4-20(27)16-24(21)33-28-26/h3-6,15-17,23,31H,2,7-14H2,1H3.

What are the key properties of 1-[5-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-1-hydroxypropyl]-2,3-dihydroindol-1-yl]propan-1-one?

1-[5-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-1-hydroxypropyl]-2,3-dihydroindol-1-yl]propan-1-one has a molecular weight of 451.54 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-1-hydroxypropyl]-2,3-dihydroindol-1-yl]propan-1-one is sourced from PubChem (CID 166524096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).