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

C14H22N2O4 — CID 108941979

IUPAC1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
SMILESO=C(CC(=O)N1CCC2(CC1)OCCO2)N1CCCC1
InChIInChI=1S/C14H22N2O4/c17-12(15-5-1-2-6-15)11-13(18)16-7-3-14(4-8-16)19-9-10-20-14/h1-11H2
InChIKeyBLRAVHQLFWZEFX-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.36
Rot. Bonds2

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

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyrrolidin-1-ylpropane-1,3-dione (PubChem CID 108941979) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyrrolidin-1-ylpropane-1,3-dione.

Molecular Properties

Compound Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
PubChem CID108941979
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
SMILESO=C(CC(=O)N1CCC2(CC1)OCCO2)N1CCCC1
InChIInChI=1S/C14H22N2O4/c17-12(15-5-1-2-6-15)11-13(18)16-7-3-14(4-8-16)19-9-10-20-14/h1-11H2
InChIKeyBLRAVHQLFWZEFX-UHFFFAOYSA-N
XLogP0.36
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.36
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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Related Compounds

2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-pyrrolidin-1-ylethanone
CID 102852261
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-iodoethanone
CID 54422172
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(propan-2-ylamino)propan-1-one
CID 109011707
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958396
2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-1-pyrrolidin-1-ylethanone
CID 131182071
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propane-1,3-dione
CID 108949990
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methylpropyl)-3-oxopropanamide
CID 108941596
1,3-bis(azepan-1-yl)propane-1,3-dione
CID 108952660
3-(cyclopentylamino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
CID 109013639
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-methylpropylamino)ethanone
CID 108993208
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(1-methoxycyclobutyl)ethanone
CID 103520062
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methylsulfanylpropan-1-one
CID 112725542

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyrrolidin-1-ylpropane-1,3-dione?
The IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyrrolidin-1-ylpropane-1,3-dione (CID 108941979) is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyrrolidin-1-ylpropane-1,3-dione.
What is the SMILES notation for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyrrolidin-1-ylpropane-1,3-dione?
The canonical SMILES for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyrrolidin-1-ylpropane-1,3-dione is O=C(CC(=O)N1CCC2(CC1)OCCO2)N1CCCC1.
What is the InChIKey of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyrrolidin-1-ylpropane-1,3-dione?
The InChIKey is BLRAVHQLFWZEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c17-12(15-5-1-2-6-15)11-13(18)16-7-3-14(4-8-16)19-9-10-20-14/h1-11H2.
What are the key properties of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyrrolidin-1-ylpropane-1,3-dione?
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyrrolidin-1-ylpropane-1,3-dione has a molecular weight of 282.34 g/mol, XLogP of 0.36, 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-pyrrolidin-1-ylpropane-1,3-dione is sourced from PubChem (CID 108941979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).