[(8R)-5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-(1-methylpyrrol-2-yl)methanone

C20H26N4O2 — CID 124816295

About [(8R)-5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-(1-methylpyrrol-2-yl)methanone

[(8R)-5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-(1-methylpyrrol-2-yl)methanone (PubChem CID 124816295) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is [(8R)-5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-(1-methylpyrrol-2-yl)methanone.

Molecular Properties

• Compound Name: [(8R)-5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-(1-methylpyrrol-2-yl)methanone
• PubChem CID: 124816295
• Molecular Formula: C20H26N4O2
• Molecular Weight: 354.45 g/mol
• Exact Mass: 354.21
• IUPAC Name: [(8R)-5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-(1-methylpyrrol-2-yl)methanone
• SMILES: CN1CC[C@@H](COc2ccccn2)CC12CN(C(=O)c1cccn1C)C2
• InChI: InChI=1S/C20H26N4O2/c1-22-10-5-6-17(22)19(25)24-14-20(15-24)12-16(8-11-23(20)2)13-26-18-7-3-4-9-21-18/h3-7,9-10,16H,8,11-15H2,1-2H3/t16-/m1/s1
• InChIKey: IFQHUISPHXEZNU-MRXNPFEDSA-N
• XLogP: 2.04
• TPSA: 50.60 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.45
LogP ≤ 5	2.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [(8R)-5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-(1-methylpyrrol-2-yl)methanone?

The IUPAC name of [(8R)-5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-(1-methylpyrrol-2-yl)methanone (CID 124816295) is [(8R)-5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-(1-methylpyrrol-2-yl)methanone.

What is the SMILES notation for [(8R)-5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-(1-methylpyrrol-2-yl)methanone?

The canonical SMILES for [(8R)-5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-(1-methylpyrrol-2-yl)methanone is CN1CC[C@@H](COc2ccccn2)CC12CN(C(=O)c1cccn1C)C2.

What is the InChIKey of [(8R)-5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-(1-methylpyrrol-2-yl)methanone?

The InChIKey is IFQHUISPHXEZNU-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-22-10-5-6-17(22)19(25)24-14-20(15-24)12-16(8-11-23(20)2)13-26-18-7-3-4-9-21-18/h3-7,9-10,16H,8,11-15H2,1-2H3/t16-/m1/s1.

What are the key properties of [(8R)-5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-(1-methylpyrrol-2-yl)methanone?

[(8R)-5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-(1-methylpyrrol-2-yl)methanone has a molecular weight of 354.45 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(8R)-5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-(1-methylpyrrol-2-yl)methanone is sourced from PubChem (CID 124816295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).