4-(2-methoxycyclopentyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione

C15H22N2O4 — CID 115947861

IUPAC4-(2-methoxycyclopentyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione
SMILESCOC1CCCC1N1C(=O)NC(=O)C2(CCCCC2)C1=O
InChIInChI=1S/C15H22N2O4/c1-21-11-7-5-6-10(11)17-13(19)15(8-3-2-4-9-15)12(18)16-14(17)20/h10-11H,2-9H2,1H3,(H,16,18,20)
InChIKeyTYLSCEYPJPIGIO-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.58
Rot. Bonds2

About 4-(2-methoxycyclopentyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione

4-(2-methoxycyclopentyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione (PubChem CID 115947861) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-(2-methoxycyclopentyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione.

Molecular Properties

Compound Name4-(2-methoxycyclopentyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione
PubChem CID115947861
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name4-(2-methoxycyclopentyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione
SMILESCOC1CCCC1N1C(=O)NC(=O)C2(CCCCC2)C1=O
InChIInChI=1S/C15H22N2O4/c1-21-11-7-5-6-10(11)17-13(19)15(8-3-2-4-9-15)12(18)16-14(17)20/h10-11H,2-9H2,1H3,(H,16,18,20)
InChIKeyTYLSCEYPJPIGIO-UHFFFAOYSA-N
XLogP1.58
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxycyclopentyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione?
The IUPAC name of 4-(2-methoxycyclopentyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione (CID 115947861) is 4-(2-methoxycyclopentyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione.
What is the SMILES notation for 4-(2-methoxycyclopentyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione?
The canonical SMILES for 4-(2-methoxycyclopentyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione is COC1CCCC1N1C(=O)NC(=O)C2(CCCCC2)C1=O.
What is the InChIKey of 4-(2-methoxycyclopentyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione?
The InChIKey is TYLSCEYPJPIGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-21-11-7-5-6-10(11)17-13(19)15(8-3-2-4-9-15)12(18)16-14(17)20/h10-11H,2-9H2,1H3,(H,16,18,20).
What are the key properties of 4-(2-methoxycyclopentyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione?
4-(2-methoxycyclopentyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione has a molecular weight of 294.35 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxycyclopentyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione is sourced from PubChem (CID 115947861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).