9-[(1-methylpyrrol-2-yl)methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one

C20H26N4O — CID 134075078

About 9-[(1-methylpyrrol-2-yl)methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one

9-[(1-methylpyrrol-2-yl)methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 134075078) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is 9-[(1-methylpyrrol-2-yl)methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

• Compound Name: 9-[(1-methylpyrrol-2-yl)methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
• PubChem CID: 134075078
• Molecular Formula: C20H26N4O
• Molecular Weight: 338.45 g/mol
• Exact Mass: 338.21
• IUPAC Name: 9-[(1-methylpyrrol-2-yl)methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
• SMILES: Cn1cccc1CN1CCCC2(CCN(Cc3cccnc3)C2=O)C1
• InChI: InChI=1S/C20H26N4O/c1-22-10-3-6-18(22)15-23-11-4-7-20(16-23)8-12-24(19(20)25)14-17-5-2-9-21-13-17/h2-3,5-6,9-10,13H,4,7-8,11-12,14-16H2,1H3
• InChIKey: IAEQUXHXNNOIGZ-UHFFFAOYSA-N
• XLogP: 2.43
• TPSA: 41.37 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	338.45
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9-[(1-methylpyrrol-2-yl)methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one?

The IUPAC name of 9-[(1-methylpyrrol-2-yl)methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one (CID 134075078) is 9-[(1-methylpyrrol-2-yl)methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one.

What is the SMILES notation for 9-[(1-methylpyrrol-2-yl)methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one?

The canonical SMILES for 9-[(1-methylpyrrol-2-yl)methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one is Cn1cccc1CN1CCCC2(CCN(Cc3cccnc3)C2=O)C1.

What is the InChIKey of 9-[(1-methylpyrrol-2-yl)methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one?

The InChIKey is IAEQUXHXNNOIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-22-10-3-6-18(22)15-23-11-4-7-20(16-23)8-12-24(19(20)25)14-17-5-2-9-21-13-17/h2-3,5-6,9-10,13H,4,7-8,11-12,14-16H2,1H3.

What are the key properties of 9-[(1-methylpyrrol-2-yl)methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one?

9-[(1-methylpyrrol-2-yl)methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 338.45 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[(1-methylpyrrol-2-yl)methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 134075078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).