2-(pyridin-2-ylmethyl)-7-(4-thiophen-2-ylbutanoyl)-2,7-diazaspiro[4.4]nonan-1-one

C21H25N3O2S — CID 175642803

About 2-(pyridin-2-ylmethyl)-7-(4-thiophen-2-ylbutanoyl)-2,7-diazaspiro[4.4]nonan-1-one

2-(pyridin-2-ylmethyl)-7-(4-thiophen-2-ylbutanoyl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 175642803) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is 2-(pyridin-2-ylmethyl)-7-(4-thiophen-2-ylbutanoyl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

• Compound Name: 2-(pyridin-2-ylmethyl)-7-(4-thiophen-2-ylbutanoyl)-2,7-diazaspiro[4.4]nonan-1-one
• PubChem CID: 175642803
• Molecular Formula: C21H25N3O2S
• Molecular Weight: 383.52 g/mol
• Exact Mass: 383.17
• IUPAC Name: 2-(pyridin-2-ylmethyl)-7-(4-thiophen-2-ylbutanoyl)-2,7-diazaspiro[4.4]nonan-1-one
• SMILES: O=C(CCCc1cccs1)N1CCC2(CCN(Cc3ccccn3)C2=O)C1
• InChI: InChI=1S/C21H25N3O2S/c25-19(8-3-6-18-7-4-14-27-18)24-13-10-21(16-24)9-12-23(20(21)26)15-17-5-1-2-11-22-17/h1-2,4-5,7,11,14H,3,6,8-10,12-13,15-16H2
• InChIKey: DMYADTDKPVQSTL-UHFFFAOYSA-N
• XLogP: 3.12
• TPSA: 53.51 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.52
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-(pyridin-2-ylmethyl)-7-(4-thiophen-2-ylbutanoyl)-2,7-diazaspiro[4.4]nonan-1-one (CID 175642803) is 2-(pyridin-2-ylmethyl)-7-(4-thiophen-2-ylbutanoyl)-2,7-diazaspiro[4.4]nonan-1-one.

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

The canonical SMILES for 2-(pyridin-2-ylmethyl)-7-(4-thiophen-2-ylbutanoyl)-2,7-diazaspiro[4.4]nonan-1-one is O=C(CCCc1cccs1)N1CCC2(CCN(Cc3ccccn3)C2=O)C1.

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

The InChIKey is DMYADTDKPVQSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S/c25-19(8-3-6-18-7-4-14-27-18)24-13-10-21(16-24)9-12-23(20(21)26)15-17-5-1-2-11-22-17/h1-2,4-5,7,11,14H,3,6,8-10,12-13,15-16H2.

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

2-(pyridin-2-ylmethyl)-7-(4-thiophen-2-ylbutanoyl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 383.52 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(pyridin-2-ylmethyl)-7-(4-thiophen-2-ylbutanoyl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 175642803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).