1,4-dioxa-8-azaspiro[4.5]decan-8-yl(pyridazin-3-yl)methanone

C12H15N3O3 — CID 57299286

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl(pyridazin-3-yl)methanone
SMILESO=C(c1cccnn1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C12H15N3O3/c16-11(10-2-1-5-13-14-10)15-6-3-12(4-7-15)17-8-9-18-12/h1-2,5H,3-4,6-9H2
InChIKeyJVSXFVVZILSPFJ-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.46
Rot. Bonds1

About 1,4-dioxa-8-azaspiro[4.5]decan-8-yl(pyridazin-3-yl)methanone

1,4-dioxa-8-azaspiro[4.5]decan-8-yl(pyridazin-3-yl)methanone (PubChem CID 57299286) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl(pyridazin-3-yl)methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl(pyridazin-3-yl)methanone
PubChem CID57299286
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl(pyridazin-3-yl)methanone
SMILESO=C(c1cccnn1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C12H15N3O3/c16-11(10-2-1-5-13-14-10)15-6-3-12(4-7-15)17-8-9-18-12/h1-2,5H,3-4,6-9H2
InChIKeyJVSXFVVZILSPFJ-UHFFFAOYSA-N
XLogP0.46
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 20929909
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methyltriazol-4-yl)methanone
CID 110691585
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]methanone
CID 109096677
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(thiadiazol-4-yl)methanone
CID 47325499
N-tert-butyl-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-2-carboxamide
CID 109098849
pyridazin-3-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110855018
(4-propan-2-ylpiperazin-1-yl)-pyridazin-3-ylmethanone
CID 126857128
(5-chloro-2-pyridinyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 78995303
[6-(2-chloroanilino)pyridazin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109123610
[6-[benzyl(methyl)amino]pyridazin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109118954
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(furan-2-yl)methanone
CID 2225250
6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109098874

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl(pyridazin-3-yl)methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl(pyridazin-3-yl)methanone (CID 57299286) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl(pyridazin-3-yl)methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl(pyridazin-3-yl)methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl(pyridazin-3-yl)methanone is O=C(c1cccnn1)N1CCC2(CC1)OCCO2.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl(pyridazin-3-yl)methanone?
The InChIKey is JVSXFVVZILSPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c16-11(10-2-1-5-13-14-10)15-6-3-12(4-7-15)17-8-9-18-12/h1-2,5H,3-4,6-9H2.
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl(pyridazin-3-yl)methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(pyridazin-3-yl)methanone has a molecular weight of 249.27 g/mol, XLogP of 0.46, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl(pyridazin-3-yl)methanone is sourced from PubChem (CID 57299286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).