2-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-6-phenyl-4,5-dihydropyridazin-3-one

C20H25N3O4 — CID 6624480

About 2-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-6-phenyl-4,5-dihydropyridazin-3-one

2-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-6-phenyl-4,5-dihydropyridazin-3-one (PubChem CID 6624480) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-6-phenyl-4,5-dihydropyridazin-3-one.

Molecular Properties

• Compound Name: 2-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-6-phenyl-4,5-dihydropyridazin-3-one
• PubChem CID: 6624480
• Molecular Formula: C20H25N3O4
• Molecular Weight: 371.44 g/mol
• Exact Mass: 371.18
• IUPAC Name: 2-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-6-phenyl-4,5-dihydropyridazin-3-one
• SMILES: O=C(CCN1N=C(c2ccccc2)CCC1=O)N1CCC2(CC1)OCCO2
• InChI: InChI=1S/C20H25N3O4/c24-18(22-12-9-20(10-13-22)26-14-15-27-20)8-11-23-19(25)7-6-17(21-23)16-4-2-1-3-5-16/h1-5H,6-15H2
• InChIKey: HBXZPJILHUDILN-UHFFFAOYSA-N
• XLogP: 1.77
• TPSA: 71.44 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.44
LogP ≤ 5	1.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-6-phenyl-4,5-dihydropyridazin-3-one?

The IUPAC name of 2-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-6-phenyl-4,5-dihydropyridazin-3-one (CID 6624480) is 2-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-6-phenyl-4,5-dihydropyridazin-3-one.

What is the SMILES notation for 2-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-6-phenyl-4,5-dihydropyridazin-3-one?

The canonical SMILES for 2-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-6-phenyl-4,5-dihydropyridazin-3-one is O=C(CCN1N=C(c2ccccc2)CCC1=O)N1CCC2(CC1)OCCO2.

What is the InChIKey of 2-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-6-phenyl-4,5-dihydropyridazin-3-one?

The InChIKey is HBXZPJILHUDILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c24-18(22-12-9-20(10-13-22)26-14-15-27-20)8-11-23-19(25)7-6-17(21-23)16-4-2-1-3-5-16/h1-5H,6-15H2.

What are the key properties of 2-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-6-phenyl-4,5-dihydropyridazin-3-one?

2-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-6-phenyl-4,5-dihydropyridazin-3-one has a molecular weight of 371.44 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-6-phenyl-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 6624480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).