1,4-dioxa-8-azaspiro[4.5]decan-8-yl(1,4-dioxan-2-yl)methanone

C12H19NO5 — CID 113222366

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl(1,4-dioxan-2-yl)methanone
SMILESO=C(C1COCCO1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C12H19NO5/c14-11(10-9-15-5-6-16-10)13-3-1-12(2-4-13)17-7-8-18-12/h10H,1-9H2
InChIKeyWZUNPEZAGCFQLD-UHFFFAOYSA-N
MW257.29 g/mol
LogP-0.23
Rot. Bonds1

About 1,4-dioxa-8-azaspiro[4.5]decan-8-yl(1,4-dioxan-2-yl)methanone

1,4-dioxa-8-azaspiro[4.5]decan-8-yl(1,4-dioxan-2-yl)methanone (PubChem CID 113222366) has the molecular formula C12H19NO5 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl(1,4-dioxan-2-yl)methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl(1,4-dioxan-2-yl)methanone
PubChem CID113222366
Molecular FormulaC12H19NO5
Molecular Weight257.29 g/mol
Exact Mass257.13
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl(1,4-dioxan-2-yl)methanone
SMILESO=C(C1COCCO1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C12H19NO5/c14-11(10-9-15-5-6-16-10)13-3-1-12(2-4-13)17-7-8-18-12/h10H,1-9H2
InChIKeyWZUNPEZAGCFQLD-UHFFFAOYSA-N
XLogP-0.23
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,4-dioxan-2-yl-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115874906
1,4-dioxan-2-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 43427982
N-[[1-(1,4-dioxane-2-carbonyl)-4-phenylpiperidin-4-yl]methyl]acetamide
CID 167887089
1,4-dioxan-2-yl-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119261251
[3-(2-aminoethyl)pyrrolidin-1-yl]-(1,4-dioxan-2-yl)methanone
CID 114802188
[3-(chloromethyl)piperidin-1-yl]-(1,4-dioxan-2-yl)methanone
CID 63393242
N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-1,4-dioxane-2-carboxamide
CID 79111758
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methyloxolan-2-yl)methanone
CID 81448721
1-(1,4-dioxane-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 63031794
[3-(2-bromoethyl)pyrrolidin-1-yl]-(1,4-dioxan-2-yl)methanone
CID 114801433
[(2R)-1,4-dioxan-2-yl]-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 95893815
2-[4-(1,4-dioxane-2-carbonyl)piperazin-1-yl]propanethioamide
CID 63340503

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl(1,4-dioxan-2-yl)methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl(1,4-dioxan-2-yl)methanone (CID 113222366) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl(1,4-dioxan-2-yl)methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl(1,4-dioxan-2-yl)methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl(1,4-dioxan-2-yl)methanone is O=C(C1COCCO1)N1CCC2(CC1)OCCO2.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl(1,4-dioxan-2-yl)methanone?
The InChIKey is WZUNPEZAGCFQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO5/c14-11(10-9-15-5-6-16-10)13-3-1-12(2-4-13)17-7-8-18-12/h10H,1-9H2.
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl(1,4-dioxan-2-yl)methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(1,4-dioxan-2-yl)methanone has a molecular weight of 257.29 g/mol, XLogP of -0.23, 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(1,4-dioxan-2-yl)methanone is sourced from PubChem (CID 113222366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).