1-[(3R)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-[(2R)-oxan-2-yl]ethanone

C26H31N3O2 — CID 51586304

About 1-[(3R)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-[(2R)-oxan-2-yl]ethanone

1-[(3R)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-[(2R)-oxan-2-yl]ethanone (PubChem CID 51586304) has the molecular formula C26H31N3O2 and a molecular weight of 417.55 g/mol. Its IUPAC name is 1-[(3R)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-[(2R)-oxan-2-yl]ethanone.

Molecular Properties

• Compound Name: 1-[(3R)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-[(2R)-oxan-2-yl]ethanone
• PubChem CID: 51586304
• Molecular Formula: C26H31N3O2
• Molecular Weight: 417.55 g/mol
• Exact Mass: 417.24
• IUPAC Name: 1-[(3R)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-[(2R)-oxan-2-yl]ethanone
• SMILES: Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)C[C@H]4CCCCO4)C3)c(-c3ccncc3)c2c1
• InChI: InChI=1S/C26H31N3O2/c1-18-7-8-23-22(15-18)25(19-9-11-27-12-10-19)26(28-23)20-5-4-13-29(17-20)24(30)16-21-6-2-3-14-31-21/h7-12,15,20-21,28H,2-6,13-14,16-17H2,1H3/t20-,21-/m1/s1
• InChIKey: PLPXYOWVHZBPFZ-NHCUHLMSSA-N
• XLogP: 5.20
• TPSA: 58.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	417.55
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-[(2R)-oxan-2-yl]ethanone?

The IUPAC name of 1-[(3R)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-[(2R)-oxan-2-yl]ethanone (CID 51586304) is 1-[(3R)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-[(2R)-oxan-2-yl]ethanone.

What is the SMILES notation for 1-[(3R)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-[(2R)-oxan-2-yl]ethanone?

The canonical SMILES for 1-[(3R)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-[(2R)-oxan-2-yl]ethanone is Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)C[C@H]4CCCCO4)C3)c(-c3ccncc3)c2c1.

What is the InChIKey of 1-[(3R)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-[(2R)-oxan-2-yl]ethanone?

The InChIKey is PLPXYOWVHZBPFZ-NHCUHLMSSA-N. The full InChI is InChI=1S/C26H31N3O2/c1-18-7-8-23-22(15-18)25(19-9-11-27-12-10-19)26(28-23)20-5-4-13-29(17-20)24(30)16-21-6-2-3-14-31-21/h7-12,15,20-21,28H,2-6,13-14,16-17H2,1H3/t20-,21-/m1/s1.

What are the key properties of 1-[(3R)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-[(2R)-oxan-2-yl]ethanone?

1-[(3R)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-[(2R)-oxan-2-yl]ethanone has a molecular weight of 417.55 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3R)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-[(2R)-oxan-2-yl]ethanone is sourced from PubChem (CID 51586304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).