1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-morpholin-4-ylpropane-1,3-dione

C16H26N2O5 — CID 108959851

IUPAC1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-morpholin-4-ylpropane-1,3-dione
SMILESCC(C)(C(=O)N1CCOCC1)C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C16H26N2O5/c1-15(2,14(20)18-7-9-21-10-8-18)13(19)17-5-3-16(4-6-17)22-11-12-23-16/h3-12H2,1-2H3
InChIKeyXBYDEMGCZQWXCF-UHFFFAOYSA-N
MW326.39 g/mol
LogP0.24
Rot. Bonds2

About 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-morpholin-4-ylpropane-1,3-dione

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-morpholin-4-ylpropane-1,3-dione (PubChem CID 108959851) has the molecular formula C16H26N2O5 and a molecular weight of 326.39 g/mol. Its IUPAC name is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-morpholin-4-ylpropane-1,3-dione.

Molecular Properties

Compound Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-morpholin-4-ylpropane-1,3-dione
PubChem CID108959851
Molecular FormulaC16H26N2O5
Molecular Weight326.39 g/mol
Exact Mass326.18
IUPAC Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-morpholin-4-ylpropane-1,3-dione
SMILESCC(C)(C(=O)N1CCOCC1)C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C16H26N2O5/c1-15(2,14(20)18-7-9-21-10-8-18)13(19)17-5-3-16(4-6-17)22-11-12-23-16/h3-12H2,1-2H3
InChIKeyXBYDEMGCZQWXCF-UHFFFAOYSA-N
XLogP0.24
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958396
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-2-methylsulfonylpropan-1-one
CID 78958483
2-cyclopropyl-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-hydroxypropan-1-one
CID 155929530
1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2,2,3,3-tetramethylbutan-1-one
CID 131135319
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-2-phenylpropan-1-one
CID 35371146
N-(2,6-difluorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-oxopropanamide
CID 108965229
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-iodoethanone
CID 54422172
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethyl-2,2-dimethyl-3-oxo-N-phenylpropanamide
CID 108965177
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-fluorophenyl)-2,2-dimethyl-3-oxopropanamide
CID 108965186
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-oxo-N-(1-phenylethyl)propanamide
CID 108962125
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(1,1-dioxothiolan-3-yl)-N,2,2-trimethyl-3-oxopropanamide
CID 108964719
tert-butyl N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-oxopropan-2-yl]carbamate
CID 71942740

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-morpholin-4-ylpropane-1,3-dione?
The IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-morpholin-4-ylpropane-1,3-dione (CID 108959851) is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-morpholin-4-ylpropane-1,3-dione.
What is the SMILES notation for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-morpholin-4-ylpropane-1,3-dione?
The canonical SMILES for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-morpholin-4-ylpropane-1,3-dione is CC(C)(C(=O)N1CCOCC1)C(=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-morpholin-4-ylpropane-1,3-dione?
The InChIKey is XBYDEMGCZQWXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O5/c1-15(2,14(20)18-7-9-21-10-8-18)13(19)17-5-3-16(4-6-17)22-11-12-23-16/h3-12H2,1-2H3.
What are the key properties of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-morpholin-4-ylpropane-1,3-dione?
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-morpholin-4-ylpropane-1,3-dione has a molecular weight of 326.39 g/mol, XLogP of 0.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-morpholin-4-ylpropane-1,3-dione is sourced from PubChem (CID 108959851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).