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

C15H24N2O4 — CID 108942359

IUPAC1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-piperidin-1-ylpropane-1,3-dione
SMILESO=C(CC(=O)N1CCC2(CC1)OCCO2)N1CCCCC1
InChIInChI=1S/C15H24N2O4/c18-13(16-6-2-1-3-7-16)12-14(19)17-8-4-15(5-9-17)20-10-11-21-15/h1-12H2
InChIKeyFMSLVIXLPOHXNF-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.75
Rot. Bonds2

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

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-piperidin-1-ylpropane-1,3-dione (PubChem CID 108942359) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-piperidin-1-ylpropane-1,3-dione.

Molecular Properties

Compound Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-piperidin-1-ylpropane-1,3-dione
PubChem CID108942359
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-piperidin-1-ylpropane-1,3-dione
SMILESO=C(CC(=O)N1CCC2(CC1)OCCO2)N1CCCCC1
InChIInChI=1S/C15H24N2O4/c18-13(16-6-2-1-3-7-16)12-14(19)17-8-4-15(5-9-17)20-10-11-21-15/h1-12H2
InChIKeyFMSLVIXLPOHXNF-UHFFFAOYSA-N
XLogP0.75
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-piperidin-1-ylpropane-1,3-dione?
The IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-piperidin-1-ylpropane-1,3-dione (CID 108942359) is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-piperidin-1-ylpropane-1,3-dione.
What is the SMILES notation for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-piperidin-1-ylpropane-1,3-dione?
The canonical SMILES for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-piperidin-1-ylpropane-1,3-dione is O=C(CC(=O)N1CCC2(CC1)OCCO2)N1CCCCC1.
What is the InChIKey of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-piperidin-1-ylpropane-1,3-dione?
The InChIKey is FMSLVIXLPOHXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c18-13(16-6-2-1-3-7-16)12-14(19)17-8-4-15(5-9-17)20-10-11-21-15/h1-12H2.
What are the key properties of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-piperidin-1-ylpropane-1,3-dione?
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-piperidin-1-ylpropane-1,3-dione has a molecular weight of 296.37 g/mol, XLogP of 0.75, 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)-3-piperidin-1-ylpropane-1,3-dione is sourced from PubChem (CID 108942359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).