9-[3-(2-methylimidazol-1-yl)propanoyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one

C22H29N5O2 — CID 72842590

About 9-[3-(2-methylimidazol-1-yl)propanoyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one

9-[3-(2-methylimidazol-1-yl)propanoyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72842590) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 9-[3-(2-methylimidazol-1-yl)propanoyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

• Compound Name: 9-[3-(2-methylimidazol-1-yl)propanoyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
• PubChem CID: 72842590
• Molecular Formula: C22H29N5O2
• Molecular Weight: 395.51 g/mol
• Exact Mass: 395.23
• IUPAC Name: 9-[3-(2-methylimidazol-1-yl)propanoyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
• SMILES: Cc1nccn1CCC(=O)N1CCC2(CCC(=O)N(Cc3ccccn3)C2)CC1
• InChI: InChI=1S/C22H29N5O2/c1-18-23-11-15-25(18)12-6-21(29)26-13-8-22(9-14-26)7-5-20(28)27(17-22)16-19-4-2-3-10-24-19/h2-4,10-11,15H,5-9,12-14,16-17H2,1H3
• InChIKey: PCVCLPNHKNZSRL-UHFFFAOYSA-N
• XLogP: 2.41
• TPSA: 71.33 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.51
LogP ≤ 5	2.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-[3-(2-methylimidazol-1-yl)propanoyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?

The IUPAC name of 9-[3-(2-methylimidazol-1-yl)propanoyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 72842590) is 9-[3-(2-methylimidazol-1-yl)propanoyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one.

What is the SMILES notation for 9-[3-(2-methylimidazol-1-yl)propanoyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?

The canonical SMILES for 9-[3-(2-methylimidazol-1-yl)propanoyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one is Cc1nccn1CCC(=O)N1CCC2(CCC(=O)N(Cc3ccccn3)C2)CC1.

What is the InChIKey of 9-[3-(2-methylimidazol-1-yl)propanoyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?

The InChIKey is PCVCLPNHKNZSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-18-23-11-15-25(18)12-6-21(29)26-13-8-22(9-14-26)7-5-20(28)27(17-22)16-19-4-2-3-10-24-19/h2-4,10-11,15H,5-9,12-14,16-17H2,1H3.

What are the key properties of 9-[3-(2-methylimidazol-1-yl)propanoyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?

9-[3-(2-methylimidazol-1-yl)propanoyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 395.51 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-(2-methylimidazol-1-yl)propanoyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72842590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).