2-(1-methylpyrrol-3-yl)-N-[[8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide

C22H30N4O2 — CID 126464957

About 2-(1-methylpyrrol-3-yl)-N-[[8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide

2-(1-methylpyrrol-3-yl)-N-[[8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide (PubChem CID 126464957) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 2-(1-methylpyrrol-3-yl)-N-[[8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide.

Molecular Properties

• Compound Name: 2-(1-methylpyrrol-3-yl)-N-[[8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
• PubChem CID: 126464957
• Molecular Formula: C22H30N4O2
• Molecular Weight: 382.51 g/mol
• Exact Mass: 382.24
• IUPAC Name: 2-(1-methylpyrrol-3-yl)-N-[[8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
• SMILES: Cn1ccc(CC(=O)NCC2CCC3(CCN(Cc4cccnc4)CC3)O2)c1
• InChI: InChI=1S/C22H30N4O2/c1-25-10-5-18(16-25)13-21(27)24-15-20-4-6-22(28-20)7-11-26(12-8-22)17-19-3-2-9-23-14-19/h2-3,5,9-10,14,16,20H,4,6-8,11-13,15,17H2,1H3,(H,24,27)
• InChIKey: FNGUUXUCCUJPKJ-UHFFFAOYSA-N
• XLogP: 2.29
• TPSA: 59.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.51
LogP ≤ 5	2.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrol-3-yl)-N-[[8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide?

The IUPAC name of 2-(1-methylpyrrol-3-yl)-N-[[8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide (CID 126464957) is 2-(1-methylpyrrol-3-yl)-N-[[8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide.

What is the SMILES notation for 2-(1-methylpyrrol-3-yl)-N-[[8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide?

The canonical SMILES for 2-(1-methylpyrrol-3-yl)-N-[[8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide is Cn1ccc(CC(=O)NCC2CCC3(CCN(Cc4cccnc4)CC3)O2)c1.

What is the InChIKey of 2-(1-methylpyrrol-3-yl)-N-[[8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide?

The InChIKey is FNGUUXUCCUJPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-25-10-5-18(16-25)13-21(27)24-15-20-4-6-22(28-20)7-11-26(12-8-22)17-19-3-2-9-23-14-19/h2-3,5,9-10,14,16,20H,4,6-8,11-13,15,17H2,1H3,(H,24,27).

What are the key properties of 2-(1-methylpyrrol-3-yl)-N-[[8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide?

2-(1-methylpyrrol-3-yl)-N-[[8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide has a molecular weight of 382.51 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-methylpyrrol-3-yl)-N-[[8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide is sourced from PubChem (CID 126464957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).