2-[3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-(2-phenylacetyl)piperidin-4-yl]acetic acid

C23H24FN3O3 — CID 162815057

About 2-[3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-(2-phenylacetyl)piperidin-4-yl]acetic acid

2-[3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-(2-phenylacetyl)piperidin-4-yl]acetic acid (PubChem CID 162815057) has the molecular formula C23H24FN3O3 and a molecular weight of 409.46 g/mol. Its IUPAC name is 2-[3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-(2-phenylacetyl)piperidin-4-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-(2-phenylacetyl)piperidin-4-yl]acetic acid
• PubChem CID: 162815057
• Molecular Formula: C23H24FN3O3
• Molecular Weight: 409.46 g/mol
• Exact Mass: 409.18
• IUPAC Name: 2-[3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-(2-phenylacetyl)piperidin-4-yl]acetic acid
• SMILES: O=C(O)CC1CCN(C(=O)Cc2ccccc2)CC1Cc1nc2ccc(F)cc2[nH]1
• InChI: InChI=1S/C23H24FN3O3/c24-18-6-7-19-20(13-18)26-21(25-19)11-17-14-27(9-8-16(17)12-23(29)30)22(28)10-15-4-2-1-3-5-15/h1-7,13,16-17H,8-12,14H2,(H,25,26)(H,29,30)
• InChIKey: GKYLUEQEMUWKKP-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 86.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.46
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-(2-phenylacetyl)piperidin-4-yl]acetic acid?

The IUPAC name of 2-[3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-(2-phenylacetyl)piperidin-4-yl]acetic acid (CID 162815057) is 2-[3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-(2-phenylacetyl)piperidin-4-yl]acetic acid.

What is the SMILES notation for 2-[3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-(2-phenylacetyl)piperidin-4-yl]acetic acid?

The canonical SMILES for 2-[3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-(2-phenylacetyl)piperidin-4-yl]acetic acid is O=C(O)CC1CCN(C(=O)Cc2ccccc2)CC1Cc1nc2ccc(F)cc2[nH]1.

What is the InChIKey of 2-[3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-(2-phenylacetyl)piperidin-4-yl]acetic acid?

The InChIKey is GKYLUEQEMUWKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3/c24-18-6-7-19-20(13-18)26-21(25-19)11-17-14-27(9-8-16(17)12-23(29)30)22(28)10-15-4-2-1-3-5-15/h1-7,13,16-17H,8-12,14H2,(H,25,26)(H,29,30).

What are the key properties of 2-[3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-(2-phenylacetyl)piperidin-4-yl]acetic acid?

2-[3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-(2-phenylacetyl)piperidin-4-yl]acetic acid has a molecular weight of 409.46 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-(2-phenylacetyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 162815057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).