1-[2-[4-[1-(4-fluorophenyl)-6-methoxyindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one

C28H35FN4O2 — CID 19379864

About 1-[2-[4-[1-(4-fluorophenyl)-6-methoxyindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one

1-[2-[4-[1-(4-fluorophenyl)-6-methoxyindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one (PubChem CID 19379864) has the molecular formula C28H35FN4O2 and a molecular weight of 478.61 g/mol. Its IUPAC name is 1-[2-[4-[1-(4-fluorophenyl)-6-methoxyindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one.

Molecular Properties

• Compound Name: 1-[2-[4-[1-(4-fluorophenyl)-6-methoxyindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one
• PubChem CID: 19379864
• Molecular Formula: C28H35FN4O2
• Molecular Weight: 478.61 g/mol
• Exact Mass: 478.27
• IUPAC Name: 1-[2-[4-[1-(4-fluorophenyl)-6-methoxyindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one
• SMILES: COc1ccc2c(C3CCN(CCN4CCN(C(C)C)C4=O)CC3)cn(-c3ccc(F)cc3)c2c1
• InChI: InChI=1S/C28H35FN4O2/c1-20(2)32-17-16-31(28(32)34)15-14-30-12-10-21(11-13-30)26-19-33(23-6-4-22(29)5-7-23)27-18-24(35-3)8-9-25(26)27/h4-9,18-21H,10-17H2,1-3H3
• InChIKey: IWVNHPJEXIHTQX-UHFFFAOYSA-N
• XLogP: 5.10
• TPSA: 40.95 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.61
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[1-(4-fluorophenyl)-6-methoxyindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one?

The IUPAC name of 1-[2-[4-[1-(4-fluorophenyl)-6-methoxyindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one (CID 19379864) is 1-[2-[4-[1-(4-fluorophenyl)-6-methoxyindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one.

What is the SMILES notation for 1-[2-[4-[1-(4-fluorophenyl)-6-methoxyindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one?

The canonical SMILES for 1-[2-[4-[1-(4-fluorophenyl)-6-methoxyindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one is COc1ccc2c(C3CCN(CCN4CCN(C(C)C)C4=O)CC3)cn(-c3ccc(F)cc3)c2c1.

What is the InChIKey of 1-[2-[4-[1-(4-fluorophenyl)-6-methoxyindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one?

The InChIKey is IWVNHPJEXIHTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35FN4O2/c1-20(2)32-17-16-31(28(32)34)15-14-30-12-10-21(11-13-30)26-19-33(23-6-4-22(29)5-7-23)27-18-24(35-3)8-9-25(26)27/h4-9,18-21H,10-17H2,1-3H3.

What are the key properties of 1-[2-[4-[1-(4-fluorophenyl)-6-methoxyindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one?

1-[2-[4-[1-(4-fluorophenyl)-6-methoxyindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one has a molecular weight of 478.61 g/mol, XLogP of 5.10, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[4-[1-(4-fluorophenyl)-6-methoxyindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 19379864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).