4-(5-cyclopentyl-2,4,6-trioxo-1,3-diazinan-1-yl)butanamide

C13H19N3O4 — CID 115946962

IUPAC4-(5-cyclopentyl-2,4,6-trioxo-1,3-diazinan-1-yl)butanamide
SMILESNC(=O)CCCN1C(=O)NC(=O)C(C2CCCC2)C1=O
InChIInChI=1S/C13H19N3O4/c14-9(17)6-3-7-16-12(19)10(8-4-1-2-5-8)11(18)15-13(16)20/h8,10H,1-7H2,(H2,14,17)(H,15,18,20)
InChIKeyWRSSXASQBQEAQB-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.14
Rot. Bonds5

About 4-(5-cyclopentyl-2,4,6-trioxo-1,3-diazinan-1-yl)butanamide

4-(5-cyclopentyl-2,4,6-trioxo-1,3-diazinan-1-yl)butanamide (PubChem CID 115946962) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 4-(5-cyclopentyl-2,4,6-trioxo-1,3-diazinan-1-yl)butanamide.

Molecular Properties

Compound Name4-(5-cyclopentyl-2,4,6-trioxo-1,3-diazinan-1-yl)butanamide
PubChem CID115946962
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name4-(5-cyclopentyl-2,4,6-trioxo-1,3-diazinan-1-yl)butanamide
SMILESNC(=O)CCCN1C(=O)NC(=O)C(C2CCCC2)C1=O
InChIInChI=1S/C13H19N3O4/c14-9(17)6-3-7-16-12(19)10(8-4-1-2-5-8)11(18)15-13(16)20/h8,10H,1-7H2,(H2,14,17)(H,15,18,20)
InChIKeyWRSSXASQBQEAQB-UHFFFAOYSA-N
XLogP0.14
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-cyclopentyl-1-hex-5-ynyl-1,3-diazinane-2,4,6-trione
CID 106211126
5-cyclopentyl-1-[2-(2-methoxyethoxy)ethyl]-1,3-diazinane-2,4,6-trione
CID 115947273
5-cyclopentyl-1-(2,2-difluoroethyl)-1,3-diazinane-2,4,6-trione
CID 112601416
5-(2,4,6-trioxo-5-propyl-1,3-diazinan-1-yl)pentanamide
CID 106236626
5-cyclopentyl-1-(oxolan-2-ylmethyl)-1,3-diazinane-2,4,6-trione
CID 115945681
5-cyclopentyl-1-(2-methyl-3-methylsulfanylpropyl)-1,3-diazinane-2,4,6-trione
CID 115948242
5-cyclopentyl-1-(oxolan-3-ylmethyl)-1,3-diazinane-2,4,6-trione
CID 115947978
1,5-dicyclopentyl-1,3-diazinane-2,4,6-trione
CID 112598446
5-cyclopentyl-1-[(2-methylthiolan-2-yl)methyl]-1,3-diazinane-2,4,6-trione
CID 115948899
5-cyclopentyl-1-[(3-methylthiophen-2-yl)methyl]-1,3-diazinane-2,4,6-trione
CID 115948871
(3aS,7aR)-2-[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-oxobutyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 66795170
3-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)propanamide
CID 114513836

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclopentyl-2,4,6-trioxo-1,3-diazinan-1-yl)butanamide?
The IUPAC name of 4-(5-cyclopentyl-2,4,6-trioxo-1,3-diazinan-1-yl)butanamide (CID 115946962) is 4-(5-cyclopentyl-2,4,6-trioxo-1,3-diazinan-1-yl)butanamide.
What is the SMILES notation for 4-(5-cyclopentyl-2,4,6-trioxo-1,3-diazinan-1-yl)butanamide?
The canonical SMILES for 4-(5-cyclopentyl-2,4,6-trioxo-1,3-diazinan-1-yl)butanamide is NC(=O)CCCN1C(=O)NC(=O)C(C2CCCC2)C1=O.
What is the InChIKey of 4-(5-cyclopentyl-2,4,6-trioxo-1,3-diazinan-1-yl)butanamide?
The InChIKey is WRSSXASQBQEAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c14-9(17)6-3-7-16-12(19)10(8-4-1-2-5-8)11(18)15-13(16)20/h8,10H,1-7H2,(H2,14,17)(H,15,18,20).
What are the key properties of 4-(5-cyclopentyl-2,4,6-trioxo-1,3-diazinan-1-yl)butanamide?
4-(5-cyclopentyl-2,4,6-trioxo-1,3-diazinan-1-yl)butanamide has a molecular weight of 281.31 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclopentyl-2,4,6-trioxo-1,3-diazinan-1-yl)butanamide is sourced from PubChem (CID 115946962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).