7-(2-cyclohexylethyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione

C14H20N2O3 — CID 112599604

IUPAC7-(2-cyclohexylethyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
SMILESO=C1NC(=O)C2(CC2)C(=O)N1CCC1CCCCC1
InChIInChI=1S/C14H20N2O3/c17-11-14(7-8-14)12(18)16(13(19)15-11)9-6-10-4-2-1-3-5-10/h10H,1-9H2,(H,15,17,19)
InChIKeyGIVDCJMXQZIGMZ-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.82
Rot. Bonds3

About 7-(2-cyclohexylethyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione

7-(2-cyclohexylethyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione (PubChem CID 112599604) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 7-(2-cyclohexylethyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione.

Molecular Properties

Compound Name7-(2-cyclohexylethyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
PubChem CID112599604
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name7-(2-cyclohexylethyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
SMILESO=C1NC(=O)C2(CC2)C(=O)N1CCC1CCCCC1
InChIInChI=1S/C14H20N2O3/c17-11-14(7-8-14)12(18)16(13(19)15-11)9-6-10-4-2-1-3-5-10/h10H,1-9H2,(H,15,17,19)
InChIKeyGIVDCJMXQZIGMZ-UHFFFAOYSA-N
XLogP1.82
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(2-cyclohexylethyl)pyrrole-2,5-dione
CID 60920082
7-(3-pyrrolidin-1-ylpropyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 115948116
7-(3-methylbutyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112598884
4-(2-methoxyethyl)-2,4-diazaspiro[5.6]dodecane-1,3,5-trione
CID 112598636
4-(oxan-4-ylmethyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione
CID 115948147
8-(2-pyrrolidin-1-ylethyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 112600452
7-(3-ethoxypropyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112598571
4-(2-butoxyethyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione
CID 115947658
7-(3-methylsulfanylpropyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112600864
7-[3-(dimethylamino)propyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112598522
4-[(5-oxopyrrolidin-2-yl)methyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione
CID 115948504
8-(2-methylsulfonylethyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 112599614

Frequently Asked Questions

What is the IUPAC name of 7-(2-cyclohexylethyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The IUPAC name of 7-(2-cyclohexylethyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione (CID 112599604) is 7-(2-cyclohexylethyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione.
What is the SMILES notation for 7-(2-cyclohexylethyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The canonical SMILES for 7-(2-cyclohexylethyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione is O=C1NC(=O)C2(CC2)C(=O)N1CCC1CCCCC1.
What is the InChIKey of 7-(2-cyclohexylethyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The InChIKey is GIVDCJMXQZIGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c17-11-14(7-8-14)12(18)16(13(19)15-11)9-6-10-4-2-1-3-5-10/h10H,1-9H2,(H,15,17,19).
What are the key properties of 7-(2-cyclohexylethyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
7-(2-cyclohexylethyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione has a molecular weight of 264.32 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-cyclohexylethyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione is sourced from PubChem (CID 112599604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).