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

C17H28N2O4 — CID 108958775

IUPAC1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-piperidin-1-ylpropane-1,3-dione
SMILESCC(C)(C(=O)N1CCCCC1)C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C17H28N2O4/c1-16(2,14(20)18-8-4-3-5-9-18)15(21)19-10-6-17(7-11-19)22-12-13-23-17/h3-13H2,1-2H3
InChIKeyYFDAEIYJJBIULB-UHFFFAOYSA-N
MW324.42 g/mol
LogP1.39
Rot. Bonds2

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

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-piperidin-1-ylpropane-1,3-dione (PubChem CID 108958775) has the molecular formula C17H28N2O4 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-piperidin-1-ylpropane-1,3-dione.

Molecular Properties

Compound Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-piperidin-1-ylpropane-1,3-dione
PubChem CID108958775
Molecular FormulaC17H28N2O4
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-piperidin-1-ylpropane-1,3-dione
SMILESCC(C)(C(=O)N1CCCCC1)C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C17H28N2O4/c1-16(2,14(20)18-8-4-3-5-9-18)15(21)19-10-6-17(7-11-19)22-12-13-23-17/h3-13H2,1-2H3
InChIKeyYFDAEIYJJBIULB-UHFFFAOYSA-N
XLogP1.39
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-piperidin-1-ylpropane-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethylpropan-1-one
CID 24285001
1-[4-(1,4-Dioxa-8-azaspiro[4.5]decane-8-carbonyl)piperidin-1-yl]ethanone
CID 110686035
3-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)-1-morpholin-4-ylpropan-1-one
CID 52263147
1-(3-(1,4-Dioxa-8-azaspiro[4.5]decane-8-carbonyl)azetidin-1-yl)ethanone
CID 90513698
1-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)-3-piperidin-1-ylpropane-1,3-dione
CID 108942359
1-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-methylpiperidin-1-yl)propane-1,3-dione
CID 108942731
1-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)-3-morpholin-4-ylpropane-1,3-dione
CID 108943466
1-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-methylpiperazin-1-yl)propane-1,3-dione
CID 108944358
1-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-ethylpiperazin-1-yl)propane-1,3-dione
CID 108944534
4-[3-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropanoyl]piperazine-1-carbaldehyde
CID 108944710
1-(4-Acetylpiperazin-1-yl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propane-1,3-dione
CID 108944885
1,3-Bis(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propane-1,3-dione
CID 108949982

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-piperidin-1-ylpropane-1,3-dione?
The IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-piperidin-1-ylpropane-1,3-dione (CID 108958775) is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-piperidin-1-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-piperidin-1-ylpropane-1,3-dione?
The canonical SMILES for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-piperidin-1-ylpropane-1,3-dione is CC(C)(C(=O)N1CCCCC1)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-piperidin-1-ylpropane-1,3-dione?
The InChIKey is YFDAEIYJJBIULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4/c1-16(2,14(20)18-8-4-3-5-9-18)15(21)19-10-6-17(7-11-19)22-12-13-23-17/h3-13H2,1-2H3.
What are the key properties of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-piperidin-1-ylpropane-1,3-dione?
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-piperidin-1-ylpropane-1,3-dione has a molecular weight of 324.42 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 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-piperidin-1-ylpropane-1,3-dione is sourced from PubChem (CID 108958775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).