(4-propan-2-ylpiperazin-1-yl)-[5-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indol-2-yl]methanone

C23H34N4O2 — CID 69283170

About (4-propan-2-ylpiperazin-1-yl)-[5-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indol-2-yl]methanone

(4-propan-2-ylpiperazin-1-yl)-[5-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indol-2-yl]methanone (PubChem CID 69283170) has the molecular formula C23H34N4O2 and a molecular weight of 398.55 g/mol. Its IUPAC name is (4-propan-2-ylpiperazin-1-yl)-[5-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indol-2-yl]methanone.

Molecular Properties

• Compound Name: (4-propan-2-ylpiperazin-1-yl)-[5-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indol-2-yl]methanone
• PubChem CID: 69283170
• Molecular Formula: C23H34N4O2
• Molecular Weight: 398.55 g/mol
• Exact Mass: 398.27
• IUPAC Name: (4-propan-2-ylpiperazin-1-yl)-[5-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indol-2-yl]methanone
• SMILES: CC(C)N1CCN(C(=O)c2cc3cc(OC4CCN(C(C)C)C4)ccc3[nH]2)CC1
• InChI: InChI=1S/C23H34N4O2/c1-16(2)25-9-11-26(12-10-25)23(28)22-14-18-13-19(5-6-21(18)24-22)29-20-7-8-27(15-20)17(3)4/h5-6,13-14,16-17,20,24H,7-12,15H2,1-4H3
• InChIKey: UVJLFZFXZMOZHQ-UHFFFAOYSA-N
• XLogP: 3.20
• TPSA: 51.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.55
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylpiperazin-1-yl)-[5-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indol-2-yl]methanone?

The IUPAC name of (4-propan-2-ylpiperazin-1-yl)-[5-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indol-2-yl]methanone (CID 69283170) is (4-propan-2-ylpiperazin-1-yl)-[5-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indol-2-yl]methanone.

What is the SMILES notation for (4-propan-2-ylpiperazin-1-yl)-[5-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indol-2-yl]methanone?

The canonical SMILES for (4-propan-2-ylpiperazin-1-yl)-[5-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indol-2-yl]methanone is CC(C)N1CCN(C(=O)c2cc3cc(OC4CCN(C(C)C)C4)ccc3[nH]2)CC1.

What is the InChIKey of (4-propan-2-ylpiperazin-1-yl)-[5-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indol-2-yl]methanone?

The InChIKey is UVJLFZFXZMOZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O2/c1-16(2)25-9-11-26(12-10-25)23(28)22-14-18-13-19(5-6-21(18)24-22)29-20-7-8-27(15-20)17(3)4/h5-6,13-14,16-17,20,24H,7-12,15H2,1-4H3.

What are the key properties of (4-propan-2-ylpiperazin-1-yl)-[5-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indol-2-yl]methanone?

(4-propan-2-ylpiperazin-1-yl)-[5-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indol-2-yl]methanone has a molecular weight of 398.55 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4-propan-2-ylpiperazin-1-yl)-[5-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indol-2-yl]methanone is sourced from PubChem (CID 69283170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).