1,5-dicyclopentyl-1,3-diazinane-2,4,6-trione

C14H20N2O3 — CID 112598446

IUPAC1,5-dicyclopentyl-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)N(C2CCCC2)C(=O)C1C1CCCC1
InChIInChI=1S/C14H20N2O3/c17-12-11(9-5-1-2-6-9)13(18)16(14(19)15-12)10-7-3-4-8-10/h9-11H,1-8H2,(H,15,17,19)
InChIKeyLNZAIEFAYROYRQ-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.81
Rot. Bonds2

About 1,5-dicyclopentyl-1,3-diazinane-2,4,6-trione

1,5-dicyclopentyl-1,3-diazinane-2,4,6-trione (PubChem CID 112598446) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1,5-dicyclopentyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1,5-dicyclopentyl-1,3-diazinane-2,4,6-trione
PubChem CID112598446
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name1,5-dicyclopentyl-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)N(C2CCCC2)C(=O)C1C1CCCC1
InChIInChI=1S/C14H20N2O3/c17-12-11(9-5-1-2-6-9)13(18)16(14(19)15-12)10-7-3-4-8-10/h9-11H,1-8H2,(H,15,17,19)
InChIKeyLNZAIEFAYROYRQ-UHFFFAOYSA-N
XLogP1.81
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.81
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

5-cyclopentyl-1-(4-methylcyclohexyl)-1,3-diazinane-2,4,6-trione
CID 104963571
5-cyclopentyl-1-(2-methylcyclopentyl)-1,3-diazinane-2,4,6-trione
CID 115948196
5-cyclopentyl-1-(2,2-difluoroethyl)-1,3-diazinane-2,4,6-trione
CID 112601416
5-cyclopentyl-1-(3,3-dimethylbutan-2-yl)-1,3-diazinane-2,4,6-trione
CID 104830815
5-cyclopentyl-1-(2-methyl-3-methylsulfanylpropyl)-1,3-diazinane-2,4,6-trione
CID 115948242
5-cyclopentyl-1-(oxolan-2-ylmethyl)-1,3-diazinane-2,4,6-trione
CID 115945681
(5S)-3-cyclopentyl-5-methylimidazolidine-2,4-dione
CID 131182792
1-(2-bromophenyl)-5-cyclopentyl-1,3-diazinane-2,4,6-trione
CID 115945625
4-(5-cyclopentyl-2,4,6-trioxo-1,3-diazinan-1-yl)butanamide
CID 115946962
1-cyclobutyl-5-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione
CID 115948037
5-cyclopentyl-1-(oxolan-3-ylmethyl)-1,3-diazinane-2,4,6-trione
CID 115947978
5-cyclopentyl-1-hex-5-ynyl-1,3-diazinane-2,4,6-trione
CID 106211126

Frequently Asked Questions

What is the IUPAC name of 1,5-dicyclopentyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1,5-dicyclopentyl-1,3-diazinane-2,4,6-trione (CID 112598446) is 1,5-dicyclopentyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1,5-dicyclopentyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1,5-dicyclopentyl-1,3-diazinane-2,4,6-trione is O=C1NC(=O)N(C2CCCC2)C(=O)C1C1CCCC1.
What is the InChIKey of 1,5-dicyclopentyl-1,3-diazinane-2,4,6-trione?
The InChIKey is LNZAIEFAYROYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c17-12-11(9-5-1-2-6-9)13(18)16(14(19)15-12)10-7-3-4-8-10/h9-11H,1-8H2,(H,15,17,19).
What are the key properties of 1,5-dicyclopentyl-1,3-diazinane-2,4,6-trione?
1,5-dicyclopentyl-1,3-diazinane-2,4,6-trione has a molecular weight of 264.32 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dicyclopentyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 112598446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).