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

C15H25N3O4 — CID 108944358

IUPAC1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-methylpiperazin-1-yl)propane-1,3-dione
SMILESCN1CCN(C(=O)CC(=O)N2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C15H25N3O4/c1-16-6-8-18(9-7-16)14(20)12-13(19)17-4-2-15(3-5-17)21-10-11-22-15/h2-12H2,1H3
InChIKeyKPLBUXNMDDXGLP-UHFFFAOYSA-N
MW311.38 g/mol
LogP-0.48
Rot. Bonds2

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

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-methylpiperazin-1-yl)propane-1,3-dione (PubChem CID 108944358) has the molecular formula C15H25N3O4 and a molecular weight of 311.38 g/mol. Its IUPAC name is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-methylpiperazin-1-yl)propane-1,3-dione.

Molecular Properties

Compound Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-methylpiperazin-1-yl)propane-1,3-dione
PubChem CID108944358
Molecular FormulaC15H25N3O4
Molecular Weight311.38 g/mol
Exact Mass311.18
IUPAC Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-methylpiperazin-1-yl)propane-1,3-dione
SMILESCN1CCN(C(=O)CC(=O)N2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C15H25N3O4/c1-16-6-8-18(9-7-16)14(20)12-13(19)17-4-2-15(3-5-17)21-10-11-22-15/h2-12H2,1H3
InChIKeyKPLBUXNMDDXGLP-UHFFFAOYSA-N
XLogP-0.48
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 5-0.48
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

2-(2,6-Dimethylmorpholin-4-yl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 71892133
1-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)butane-1,3-dione
CID 176275705
3-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)-1-piperazin-1-ylpropan-1-one
CID 39285941
3-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropanamide
CID 44250017
1-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)-2-morpholin-4-ylethane-1,2-dione
CID 45587221
1-(4-Acetylpiperazin-1-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 52223532
3-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)-1-morpholin-4-ylpropan-1-one
CID 52263147
1-(2,6-Dimethylmorpholin-4-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 60434174
2-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)-1-(2-methylpiperidin-1-yl)ethanone
CID 60570587
1-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)-2-morpholin-4-ylethanone
CID 78894303
1-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-ethylpiperazin-1-yl)ethanone
CID 78894716
1-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 78897365

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-methylpiperazin-1-yl)propane-1,3-dione?
The IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-methylpiperazin-1-yl)propane-1,3-dione (CID 108944358) is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-methylpiperazin-1-yl)propane-1,3-dione.
What is the SMILES notation for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-methylpiperazin-1-yl)propane-1,3-dione?
The canonical SMILES for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-methylpiperazin-1-yl)propane-1,3-dione is CN1CCN(C(=O)CC(=O)N2CCC3(CC2)OCCO3)CC1.
What is the InChIKey of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-methylpiperazin-1-yl)propane-1,3-dione?
The InChIKey is KPLBUXNMDDXGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4/c1-16-6-8-18(9-7-16)14(20)12-13(19)17-4-2-15(3-5-17)21-10-11-22-15/h2-12H2,1H3.
What are the key properties of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-methylpiperazin-1-yl)propane-1,3-dione?
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-methylpiperazin-1-yl)propane-1,3-dione has a molecular weight of 311.38 g/mol, XLogP of -0.48, 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-(4-methylpiperazin-1-yl)propane-1,3-dione is sourced from PubChem (CID 108944358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).