7-(2-methyl-2-morpholin-4-ylpropanoyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one

C21H30N4O3 — CID 175641553

About 7-(2-methyl-2-morpholin-4-ylpropanoyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one

7-(2-methyl-2-morpholin-4-ylpropanoyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 175641553) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is 7-(2-methyl-2-morpholin-4-ylpropanoyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

• Compound Name: 7-(2-methyl-2-morpholin-4-ylpropanoyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
• PubChem CID: 175641553
• Molecular Formula: C21H30N4O3
• Molecular Weight: 386.50 g/mol
• Exact Mass: 386.23
• IUPAC Name: 7-(2-methyl-2-morpholin-4-ylpropanoyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
• SMILES: CC(C)(C(=O)N1CCC2(CCN(Cc3ccccn3)C2=O)C1)N1CCOCC1
• InChI: InChI=1S/C21H30N4O3/c1-20(2,25-11-13-28-14-12-25)18(26)24-10-7-21(16-24)6-9-23(19(21)27)15-17-5-3-4-8-22-17/h3-5,8H,6-7,9-16H2,1-2H3
• InChIKey: BEDMTFPIEJHTTA-UHFFFAOYSA-N
• XLogP: 1.14
• TPSA: 65.98 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.50
LogP ≤ 5	1.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-(2-methyl-2-morpholin-4-ylpropanoyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?

The IUPAC name of 7-(2-methyl-2-morpholin-4-ylpropanoyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one (CID 175641553) is 7-(2-methyl-2-morpholin-4-ylpropanoyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one.

What is the SMILES notation for 7-(2-methyl-2-morpholin-4-ylpropanoyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?

The canonical SMILES for 7-(2-methyl-2-morpholin-4-ylpropanoyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one is CC(C)(C(=O)N1CCC2(CCN(Cc3ccccn3)C2=O)C1)N1CCOCC1.

What is the InChIKey of 7-(2-methyl-2-morpholin-4-ylpropanoyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?

The InChIKey is BEDMTFPIEJHTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-20(2,25-11-13-28-14-12-25)18(26)24-10-7-21(16-24)6-9-23(19(21)27)15-17-5-3-4-8-22-17/h3-5,8H,6-7,9-16H2,1-2H3.

What are the key properties of 7-(2-methyl-2-morpholin-4-ylpropanoyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?

7-(2-methyl-2-morpholin-4-ylpropanoyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 386.50 g/mol, XLogP of 1.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(2-methyl-2-morpholin-4-ylpropanoyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 175641553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).