1-(2,3-dihydroindol-1-yl)-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]ethanone

C22H30N4O — CID 90494169

About 1-(2,3-dihydroindol-1-yl)-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]ethanone

1-(2,3-dihydroindol-1-yl)-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]ethanone (PubChem CID 90494169) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-(2,3-dihydroindol-1-yl)-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
• PubChem CID: 90494169
• Molecular Formula: C22H30N4O
• Molecular Weight: 366.51 g/mol
• Exact Mass: 366.24
• IUPAC Name: 1-(2,3-dihydroindol-1-yl)-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
• SMILES: CC(C)c1nccn1CC1CCN(CC(=O)N2CCc3ccccc32)CC1
• InChI: InChI=1S/C22H30N4O/c1-17(2)22-23-10-14-25(22)15-18-7-11-24(12-8-18)16-21(27)26-13-9-19-5-3-4-6-20(19)26/h3-6,10,14,17-18H,7-9,11-13,15-16H2,1-2H3
• InChIKey: WGNLQFCAFSYMTA-UHFFFAOYSA-N
• XLogP: 3.31
• TPSA: 41.37 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.51
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]ethanone?

The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]ethanone (CID 90494169) is 1-(2,3-dihydroindol-1-yl)-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]ethanone.

What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]ethanone?

The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]ethanone is CC(C)c1nccn1CC1CCN(CC(=O)N2CCc3ccccc32)CC1.

What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]ethanone?

The InChIKey is WGNLQFCAFSYMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-17(2)22-23-10-14-25(22)15-18-7-11-24(12-8-18)16-21(27)26-13-9-19-5-3-4-6-20(19)26/h3-6,10,14,17-18H,7-9,11-13,15-16H2,1-2H3.

What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]ethanone?

1-(2,3-dihydroindol-1-yl)-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]ethanone has a molecular weight of 366.51 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,3-dihydroindol-1-yl)-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 90494169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).