1-[4-[[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-pyridinyl]amino]phenyl]ethanone

C21H23N3O4 — CID 109215644

About 1-[4-[[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-pyridinyl]amino]phenyl]ethanone

1-[4-[[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-pyridinyl]amino]phenyl]ethanone (PubChem CID 109215644) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 1-[4-[[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-pyridinyl]amino]phenyl]ethanone.

Molecular Properties

• Compound Name: 1-[4-[[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-pyridinyl]amino]phenyl]ethanone
• PubChem CID: 109215644
• Molecular Formula: C21H23N3O4
• Molecular Weight: 381.43 g/mol
• Exact Mass: 381.17
• IUPAC Name: 1-[4-[[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-pyridinyl]amino]phenyl]ethanone
• SMILES: CC(=O)c1ccc(Nc2ccnc(C(=O)N3CCC4(CC3)OCCO4)c2)cc1
• InChI: InChI=1S/C21H23N3O4/c1-15(25)16-2-4-17(5-3-16)23-18-6-9-22-19(14-18)20(26)24-10-7-21(8-11-24)27-12-13-28-21/h2-6,9,14H,7-8,10-13H2,1H3,(H,22,23)
• InChIKey: SNHHDRHBRJGXNW-UHFFFAOYSA-N
• XLogP: 3.01
• TPSA: 80.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.43
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-pyridinyl]amino]phenyl]ethanone?

The IUPAC name of 1-[4-[[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-pyridinyl]amino]phenyl]ethanone (CID 109215644) is 1-[4-[[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-pyridinyl]amino]phenyl]ethanone.

What is the SMILES notation for 1-[4-[[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-pyridinyl]amino]phenyl]ethanone?

The canonical SMILES for 1-[4-[[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-pyridinyl]amino]phenyl]ethanone is CC(=O)c1ccc(Nc2ccnc(C(=O)N3CCC4(CC3)OCCO4)c2)cc1.

What is the InChIKey of 1-[4-[[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-pyridinyl]amino]phenyl]ethanone?

The InChIKey is SNHHDRHBRJGXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-15(25)16-2-4-17(5-3-16)23-18-6-9-22-19(14-18)20(26)24-10-7-21(8-11-24)27-12-13-28-21/h2-6,9,14H,7-8,10-13H2,1H3,(H,22,23).

What are the key properties of 1-[4-[[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-pyridinyl]amino]phenyl]ethanone?

1-[4-[[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-pyridinyl]amino]phenyl]ethanone has a molecular weight of 381.43 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-pyridinyl]amino]phenyl]ethanone is sourced from PubChem (CID 109215644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).