9-[(3-ethylimidazol-4-yl)methyl]-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one

C22H31N5O — CID 70767429

About 9-[(3-ethylimidazol-4-yl)methyl]-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one

9-[(3-ethylimidazol-4-yl)methyl]-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70767429) has the molecular formula C22H31N5O and a molecular weight of 381.52 g/mol. Its IUPAC name is 9-[(3-ethylimidazol-4-yl)methyl]-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

• Compound Name: 9-[(3-ethylimidazol-4-yl)methyl]-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
• PubChem CID: 70767429
• Molecular Formula: C22H31N5O
• Molecular Weight: 381.52 g/mol
• Exact Mass: 381.25
• IUPAC Name: 9-[(3-ethylimidazol-4-yl)methyl]-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
• SMILES: CCn1cncc1CN1CCC2(CCC(=O)N(CCc3ccccn3)C2)CC1
• InChI: InChI=1S/C22H31N5O/c1-2-26-18-23-15-20(26)16-25-13-9-22(10-14-25)8-6-21(28)27(17-22)12-7-19-5-3-4-11-24-19/h3-5,11,15,18H,2,6-10,12-14,16-17H2,1H3
• InChIKey: ZNAIQZKAJILMBM-UHFFFAOYSA-N
• XLogP: 2.75
• TPSA: 54.26 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.52
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-[(3-ethylimidazol-4-yl)methyl]-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one?

The IUPAC name of 9-[(3-ethylimidazol-4-yl)methyl]-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 70767429) is 9-[(3-ethylimidazol-4-yl)methyl]-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one.

What is the SMILES notation for 9-[(3-ethylimidazol-4-yl)methyl]-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one?

The canonical SMILES for 9-[(3-ethylimidazol-4-yl)methyl]-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one is CCn1cncc1CN1CCC2(CCC(=O)N(CCc3ccccn3)C2)CC1.

What is the InChIKey of 9-[(3-ethylimidazol-4-yl)methyl]-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one?

The InChIKey is ZNAIQZKAJILMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O/c1-2-26-18-23-15-20(26)16-25-13-9-22(10-14-25)8-6-21(28)27(17-22)12-7-19-5-3-4-11-24-19/h3-5,11,15,18H,2,6-10,12-14,16-17H2,1H3.

What are the key properties of 9-[(3-ethylimidazol-4-yl)methyl]-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one?

9-[(3-ethylimidazol-4-yl)methyl]-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 381.52 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[(3-ethylimidazol-4-yl)methyl]-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70767429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).