3-[2-(azetidin-3-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C13H21N3O2 — CID 107391096

IUPAC3-[2-(azetidin-3-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCCCC2)C(=O)N1CCC1CNC1
InChIInChI=1S/C13H21N3O2/c17-11-13(5-2-1-3-6-13)15-12(18)16(11)7-4-10-8-14-9-10/h10,14H,1-9H2,(H,15,18)
InChIKeyJHOSMNPUZQSGML-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.85
Rot. Bonds3

About 3-[2-(azetidin-3-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

3-[2-(azetidin-3-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 107391096) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[2-(azetidin-3-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[2-(azetidin-3-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID107391096
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name3-[2-(azetidin-3-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCCCC2)C(=O)N1CCC1CNC1
InChIInChI=1S/C13H21N3O2/c17-11-13(5-2-1-3-6-13)15-12(18)16(11)7-4-10-8-14-9-10/h10,14H,1-9H2,(H,15,18)
InChIKeyJHOSMNPUZQSGML-UHFFFAOYSA-N
XLogP0.85
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3-(2-hydroxyethyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 43509728
3-(2-aminoethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18071047
3-(2-hydroxyethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 12866
3-[2-(2-oxocyclopentyl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 79570738
3-(2-piperidin-4-ylethyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
CID 106528198
3-(3-aminopropyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18071372
3-(3-hydroxypropyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 43509729
3-(3-aminopropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 25323207
3-butyl-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 13436719
3-(cyclobutylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 97218148
3-(3-oxobutyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 60666732
3-(2-azidoethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 61396486

Frequently Asked Questions

What is the IUPAC name of 3-[2-(azetidin-3-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[2-(azetidin-3-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 107391096) is 3-[2-(azetidin-3-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[2-(azetidin-3-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[2-(azetidin-3-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is O=C1NC2(CCCCC2)C(=O)N1CCC1CNC1.
What is the InChIKey of 3-[2-(azetidin-3-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is JHOSMNPUZQSGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c17-11-13(5-2-1-3-6-13)15-12(18)16(11)7-4-10-8-14-9-10/h10,14H,1-9H2,(H,15,18).
What are the key properties of 3-[2-(azetidin-3-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[2-(azetidin-3-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 251.33 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(azetidin-3-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 107391096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).