1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]-2-(oxolan-3-yloxy)ethanone

C23H29N3O4 — CID 135172858

About 1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]-2-(oxolan-3-yloxy)ethanone

1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]-2-(oxolan-3-yloxy)ethanone (PubChem CID 135172858) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is 1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]-2-(oxolan-3-yloxy)ethanone.

Molecular Properties

• Compound Name: 1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]-2-(oxolan-3-yloxy)ethanone
• PubChem CID: 135172858
• Molecular Formula: C23H29N3O4
• Molecular Weight: 411.50 g/mol
• Exact Mass: 411.22
• IUPAC Name: 1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]-2-(oxolan-3-yloxy)ethanone
• SMILES: O=C(COC1CCOC1)N1CCC(C(O)CC2c3ccccc3-c3cncn32)CC1
• InChI: InChI=1S/C23H29N3O4/c27-22(11-20-18-3-1-2-4-19(18)21-12-24-15-26(20)21)16-5-8-25(9-6-16)23(28)14-30-17-7-10-29-13-17/h1-4,12,15-17,20,22,27H,5-11,13-14H2
• InChIKey: MUKCYTKGHJPVEJ-UHFFFAOYSA-N
• XLogP: 2.25
• TPSA: 76.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.50
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]-2-(oxolan-3-yloxy)ethanone?

The IUPAC name of 1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]-2-(oxolan-3-yloxy)ethanone (CID 135172858) is 1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]-2-(oxolan-3-yloxy)ethanone.

What is the SMILES notation for 1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]-2-(oxolan-3-yloxy)ethanone?

The canonical SMILES for 1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]-2-(oxolan-3-yloxy)ethanone is O=C(COC1CCOC1)N1CCC(C(O)CC2c3ccccc3-c3cncn32)CC1.

What is the InChIKey of 1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]-2-(oxolan-3-yloxy)ethanone?

The InChIKey is MUKCYTKGHJPVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c27-22(11-20-18-3-1-2-4-19(18)21-12-24-15-26(20)21)16-5-8-25(9-6-16)23(28)14-30-17-7-10-29-13-17/h1-4,12,15-17,20,22,27H,5-11,13-14H2.

What are the key properties of 1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]-2-(oxolan-3-yloxy)ethanone?

1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]-2-(oxolan-3-yloxy)ethanone has a molecular weight of 411.50 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]-2-(oxolan-3-yloxy)ethanone is sourced from PubChem (CID 135172858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).