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

C14H22N2O5 — CID 108943466

IUPAC1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-morpholin-4-ylpropane-1,3-dione
SMILESO=C(CC(=O)N1CCC2(CC1)OCCO2)N1CCOCC1
InChIInChI=1S/C14H22N2O5/c17-12(11-13(18)16-5-7-19-8-6-16)15-3-1-14(2-4-15)20-9-10-21-14/h1-11H2
InChIKeySINVEWMFUOPJNB-UHFFFAOYSA-N
MW298.34 g/mol
LogP-0.40
Rot. Bonds2

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

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-morpholin-4-ylpropane-1,3-dione (PubChem CID 108943466) has the molecular formula C14H22N2O5 and a molecular weight of 298.34 g/mol. Its IUPAC name is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-morpholin-4-ylpropane-1,3-dione.

Molecular Properties

Compound Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-morpholin-4-ylpropane-1,3-dione
PubChem CID108943466
Molecular FormulaC14H22N2O5
Molecular Weight298.34 g/mol
Exact Mass298.15
IUPAC Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-morpholin-4-ylpropane-1,3-dione
SMILESO=C(CC(=O)N1CCC2(CC1)OCCO2)N1CCOCC1
InChIInChI=1S/C14H22N2O5/c17-12(11-13(18)16-5-7-19-8-6-16)15-3-1-14(2-4-15)20-9-10-21-14/h1-11H2
InChIKeySINVEWMFUOPJNB-UHFFFAOYSA-N
XLogP-0.40
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 5-0.40
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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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-morpholin-4-ylpropane-1,3-dione?
The IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-morpholin-4-ylpropane-1,3-dione (CID 108943466) is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-morpholin-4-ylpropane-1,3-dione.
What is the SMILES notation for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-morpholin-4-ylpropane-1,3-dione?
The canonical SMILES for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-morpholin-4-ylpropane-1,3-dione is O=C(CC(=O)N1CCC2(CC1)OCCO2)N1CCOCC1.
What is the InChIKey of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-morpholin-4-ylpropane-1,3-dione?
The InChIKey is SINVEWMFUOPJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5/c17-12(11-13(18)16-5-7-19-8-6-16)15-3-1-14(2-4-15)20-9-10-21-14/h1-11H2.
What are the key properties of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-morpholin-4-ylpropane-1,3-dione?
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-morpholin-4-ylpropane-1,3-dione has a molecular weight of 298.34 g/mol, XLogP of -0.40, 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)-3-morpholin-4-ylpropane-1,3-dione is sourced from PubChem (CID 108943466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).