1-(1,2-dimethylpiperidin-4-yl)-5-propyl-1,3-diazinane-2,4,6-trione

C14H23N3O3 — CID 115948943

IUPAC1-(1,2-dimethylpiperidin-4-yl)-5-propyl-1,3-diazinane-2,4,6-trione
SMILESCCCC1C(=O)NC(=O)N(C2CCN(C)C(C)C2)C1=O
InChIInChI=1S/C14H23N3O3/c1-4-5-11-12(18)15-14(20)17(13(11)19)10-6-7-16(3)9(2)8-10/h9-11H,4-8H2,1-3H3,(H,15,18,20)
InChIKeyJYWISMZLZQGDPP-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.96
Rot. Bonds3

About 1-(1,2-dimethylpiperidin-4-yl)-5-propyl-1,3-diazinane-2,4,6-trione

1-(1,2-dimethylpiperidin-4-yl)-5-propyl-1,3-diazinane-2,4,6-trione (PubChem CID 115948943) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-(1,2-dimethylpiperidin-4-yl)-5-propyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(1,2-dimethylpiperidin-4-yl)-5-propyl-1,3-diazinane-2,4,6-trione
PubChem CID115948943
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name1-(1,2-dimethylpiperidin-4-yl)-5-propyl-1,3-diazinane-2,4,6-trione
SMILESCCCC1C(=O)NC(=O)N(C2CCN(C)C(C)C2)C1=O
InChIInChI=1S/C14H23N3O3/c1-4-5-11-12(18)15-14(20)17(13(11)19)10-6-7-16(3)9(2)8-10/h9-11H,4-8H2,1-3H3,(H,15,18,20)
InChIKeyJYWISMZLZQGDPP-UHFFFAOYSA-N
XLogP0.96
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.96
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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Related Compounds

1-(1-methylpyrrolidin-3-yl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 112600076
1-(2,4-dimethylcyclohexyl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 115948158
1-(3,3-dimethylcyclohexyl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 115948827
5-(2,4,6-trioxo-5-propyl-1,3-diazinan-1-yl)pentanamide
CID 106236626
1-(1-cyclopropylethyl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 112599308
1-(2-cyclopropylpropan-2-yl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 114112529
3-(1,2-dimethylpiperidin-4-yl)-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83260804
3-(1,2-dimethylpiperidin-4-yl)-2-methylimidazolidin-4-one
CID 83259997
N-cyclopropyl-4-(2,4,6-trioxo-5-propyl-1,3-diazinan-1-yl)butanamide
CID 115948700
1-(3-phenylpropyl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 115946971
1-[(5-oxopyrrolidin-2-yl)methyl]-5-propyl-1,3-diazinane-2,4,6-trione
CID 112601053
1-(4-methylpentan-2-yl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 112599238

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dimethylpiperidin-4-yl)-5-propyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-(1,2-dimethylpiperidin-4-yl)-5-propyl-1,3-diazinane-2,4,6-trione (CID 115948943) is 1-(1,2-dimethylpiperidin-4-yl)-5-propyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-(1,2-dimethylpiperidin-4-yl)-5-propyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-(1,2-dimethylpiperidin-4-yl)-5-propyl-1,3-diazinane-2,4,6-trione is CCCC1C(=O)NC(=O)N(C2CCN(C)C(C)C2)C1=O.
What is the InChIKey of 1-(1,2-dimethylpiperidin-4-yl)-5-propyl-1,3-diazinane-2,4,6-trione?
The InChIKey is JYWISMZLZQGDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-4-5-11-12(18)15-14(20)17(13(11)19)10-6-7-16(3)9(2)8-10/h9-11H,4-8H2,1-3H3,(H,15,18,20).
What are the key properties of 1-(1,2-dimethylpiperidin-4-yl)-5-propyl-1,3-diazinane-2,4,6-trione?
1-(1,2-dimethylpiperidin-4-yl)-5-propyl-1,3-diazinane-2,4,6-trione has a molecular weight of 281.36 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dimethylpiperidin-4-yl)-5-propyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 115948943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).