(1-methylpyrrol-2-yl)-[3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone

C20H25N3O3 — CID 118745219

About (1-methylpyrrol-2-yl)-[3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone

(1-methylpyrrol-2-yl)-[3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone (PubChem CID 118745219) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is (1-methylpyrrol-2-yl)-[3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone.

Molecular Properties

• Compound Name: (1-methylpyrrol-2-yl)-[3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
• PubChem CID: 118745219
• Molecular Formula: C20H25N3O3
• Molecular Weight: 355.44 g/mol
• Exact Mass: 355.19
• IUPAC Name: (1-methylpyrrol-2-yl)-[3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
• SMILES: Cn1cccc1C(=O)N1CCC2(CC1)COC(COc1ccccn1)C2
• InChI: InChI=1S/C20H25N3O3/c1-22-10-4-5-17(22)19(24)23-11-7-20(8-12-23)13-16(26-15-20)14-25-18-6-2-3-9-21-18/h2-6,9-10,16H,7-8,11-15H2,1H3
• InChIKey: DSRXEBIWHLLKOS-UHFFFAOYSA-N
• XLogP: 2.51
• TPSA: 56.59 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.44
LogP ≤ 5	2.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrol-2-yl)-[3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone?

The IUPAC name of (1-methylpyrrol-2-yl)-[3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone (CID 118745219) is (1-methylpyrrol-2-yl)-[3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone.

What is the SMILES notation for (1-methylpyrrol-2-yl)-[3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone?

The canonical SMILES for (1-methylpyrrol-2-yl)-[3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone is Cn1cccc1C(=O)N1CCC2(CC1)COC(COc1ccccn1)C2.

What is the InChIKey of (1-methylpyrrol-2-yl)-[3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone?

The InChIKey is DSRXEBIWHLLKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-22-10-4-5-17(22)19(24)23-11-7-20(8-12-23)13-16(26-15-20)14-25-18-6-2-3-9-21-18/h2-6,9-10,16H,7-8,11-15H2,1H3.

What are the key properties of (1-methylpyrrol-2-yl)-[3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone?

(1-methylpyrrol-2-yl)-[3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone has a molecular weight of 355.44 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (1-methylpyrrol-2-yl)-[3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone is sourced from PubChem (CID 118745219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).