(5-methylfuran-2-yl)-[(5R,9R)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]methanone

C21H27N3O3 — CID 131689406

About (5-methylfuran-2-yl)-[(5R,9R)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]methanone

(5-methylfuran-2-yl)-[(5R,9R)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]methanone (PubChem CID 131689406) has the molecular formula C21H27N3O3 and a molecular weight of 369.46 g/mol. Its IUPAC name is (5-methylfuran-2-yl)-[(5R,9R)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]methanone.

Molecular Properties

• Compound Name: (5-methylfuran-2-yl)-[(5R,9R)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]methanone
• PubChem CID: 131689406
• Molecular Formula: C21H27N3O3
• Molecular Weight: 369.46 g/mol
• Exact Mass: 369.21
• IUPAC Name: (5-methylfuran-2-yl)-[(5R,9R)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]methanone
• SMILES: Cc1ccc(C(=O)N2CC[C@@]3(CN(C)C[C@@H]3COCc3ccccn3)C2)o1
• InChI: InChI=1S/C21H27N3O3/c1-16-6-7-19(27-16)20(25)24-10-8-21(15-24)14-23(2)11-17(21)12-26-13-18-5-3-4-9-22-18/h3-7,9,17H,8,10-15H2,1-2H3/t17-,21-/m1/s1
• InChIKey: DJVOTOAFFYXQHJ-DYESRHJHSA-N
• XLogP: 2.59
• TPSA: 58.81 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.46
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (5-methylfuran-2-yl)-[(5R,9R)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]methanone?

The IUPAC name of (5-methylfuran-2-yl)-[(5R,9R)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]methanone (CID 131689406) is (5-methylfuran-2-yl)-[(5R,9R)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]methanone.

What is the SMILES notation for (5-methylfuran-2-yl)-[(5R,9R)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]methanone?

The canonical SMILES for (5-methylfuran-2-yl)-[(5R,9R)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]methanone is Cc1ccc(C(=O)N2CC[C@@]3(CN(C)C[C@@H]3COCc3ccccn3)C2)o1.

What is the InChIKey of (5-methylfuran-2-yl)-[(5R,9R)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]methanone?

The InChIKey is DJVOTOAFFYXQHJ-DYESRHJHSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-16-6-7-19(27-16)20(25)24-10-8-21(15-24)14-23(2)11-17(21)12-26-13-18-5-3-4-9-22-18/h3-7,9,17H,8,10-15H2,1-2H3/t17-,21-/m1/s1.

What are the key properties of (5-methylfuran-2-yl)-[(5R,9R)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]methanone?

(5-methylfuran-2-yl)-[(5R,9R)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]methanone has a molecular weight of 369.46 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5-methylfuran-2-yl)-[(5R,9R)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]methanone is sourced from PubChem (CID 131689406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).