2-(2,3-dihydroindol-1-yl)-1-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone

C21H25N3O2 — CID 97115501

About 2-(2,3-dihydroindol-1-yl)-1-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone

2-(2,3-dihydroindol-1-yl)-1-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone (PubChem CID 97115501) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-1-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-(2,3-dihydroindol-1-yl)-1-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
• PubChem CID: 97115501
• Molecular Formula: C21H25N3O2
• Molecular Weight: 351.45 g/mol
• Exact Mass: 351.19
• IUPAC Name: 2-(2,3-dihydroindol-1-yl)-1-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
• SMILES: O=C(CN1CCc2ccccc21)N1CCC[C@H](OCc2ccccn2)C1
• InChI: InChI=1S/C21H25N3O2/c25-21(15-23-13-10-17-6-1-2-9-20(17)23)24-12-5-8-19(14-24)26-16-18-7-3-4-11-22-18/h1-4,6-7,9,11,19H,5,8,10,12-16H2/t19-/m0/s1
• InChIKey: SGTGWJHOAKVTBU-IBGZPJMESA-N
• XLogP: 2.65
• TPSA: 45.67 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.45
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)-1-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone?

The IUPAC name of 2-(2,3-dihydroindol-1-yl)-1-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone (CID 97115501) is 2-(2,3-dihydroindol-1-yl)-1-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone.

What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-1-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone?

The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-1-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone is O=C(CN1CCc2ccccc21)N1CCC[C@H](OCc2ccccn2)C1.

What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-1-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone?

The InChIKey is SGTGWJHOAKVTBU-IBGZPJMESA-N. The full InChI is InChI=1S/C21H25N3O2/c25-21(15-23-13-10-17-6-1-2-9-20(17)23)24-12-5-8-19(14-24)26-16-18-7-3-4-11-22-18/h1-4,6-7,9,11,19H,5,8,10,12-16H2/t19-/m0/s1.

What are the key properties of 2-(2,3-dihydroindol-1-yl)-1-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone?

2-(2,3-dihydroindol-1-yl)-1-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone has a molecular weight of 351.45 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,3-dihydroindol-1-yl)-1-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone is sourced from PubChem (CID 97115501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).