4-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)ethyl]morpholine-3-carbonitrile

C14H20N4O3 — CID 154799869

IUPAC4-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)ethyl]morpholine-3-carbonitrile
SMILESN#CC1COCCN1CCN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C14H20N4O3/c15-9-11-10-21-8-7-17(11)5-6-18-12(19)14(16-13(18)20)3-1-2-4-14/h11H,1-8,10H2,(H,16,20)
InChIKeyQVNLROVBPRBLQM-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.08
Rot. Bonds3

About 4-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)ethyl]morpholine-3-carbonitrile

4-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)ethyl]morpholine-3-carbonitrile (PubChem CID 154799869) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)ethyl]morpholine-3-carbonitrile.

Molecular Properties

Compound Name4-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)ethyl]morpholine-3-carbonitrile
PubChem CID154799869
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name4-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)ethyl]morpholine-3-carbonitrile
SMILESN#CC1COCCN1CCN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C14H20N4O3/c15-9-11-10-21-8-7-17(11)5-6-18-12(19)14(16-13(18)20)3-1-2-4-14/h11H,1-8,10H2,(H,16,20)
InChIKeyQVNLROVBPRBLQM-UHFFFAOYSA-N
XLogP0.08
TPSA85.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)ethyl]morpholine-3-carbonitrile?
The IUPAC name of 4-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)ethyl]morpholine-3-carbonitrile (CID 154799869) is 4-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)ethyl]morpholine-3-carbonitrile.
What is the SMILES notation for 4-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)ethyl]morpholine-3-carbonitrile?
The canonical SMILES for 4-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)ethyl]morpholine-3-carbonitrile is N#CC1COCCN1CCN1C(=O)NC2(CCCC2)C1=O.
What is the InChIKey of 4-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)ethyl]morpholine-3-carbonitrile?
The InChIKey is QVNLROVBPRBLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c15-9-11-10-21-8-7-17(11)5-6-18-12(19)14(16-13(18)20)3-1-2-4-14/h11H,1-8,10H2,(H,16,20).
What are the key properties of 4-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)ethyl]morpholine-3-carbonitrile?
4-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)ethyl]morpholine-3-carbonitrile has a molecular weight of 292.34 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)ethyl]morpholine-3-carbonitrile is sourced from PubChem (CID 154799869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).