5-propan-2-yl-1-(3-pyrrolidin-1-ylpropyl)-1,3-diazinane-2,4,6-trione

C14H23N3O3 — CID 115948114

IUPAC5-propan-2-yl-1-(3-pyrrolidin-1-ylpropyl)-1,3-diazinane-2,4,6-trione
SMILESCC(C)C1C(=O)NC(=O)N(CCCN2CCCC2)C1=O
InChIInChI=1S/C14H23N3O3/c1-10(2)11-12(18)15-14(20)17(13(11)19)9-5-8-16-6-3-4-7-16/h10-11H,3-9H2,1-2H3,(H,15,18,20)
InChIKeyTZFLODRGWLCFPZ-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.82
Rot. Bonds5

About 5-propan-2-yl-1-(3-pyrrolidin-1-ylpropyl)-1,3-diazinane-2,4,6-trione

5-propan-2-yl-1-(3-pyrrolidin-1-ylpropyl)-1,3-diazinane-2,4,6-trione (PubChem CID 115948114) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 5-propan-2-yl-1-(3-pyrrolidin-1-ylpropyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-propan-2-yl-1-(3-pyrrolidin-1-ylpropyl)-1,3-diazinane-2,4,6-trione
PubChem CID115948114
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name5-propan-2-yl-1-(3-pyrrolidin-1-ylpropyl)-1,3-diazinane-2,4,6-trione
SMILESCC(C)C1C(=O)NC(=O)N(CCCN2CCCC2)C1=O
InChIInChI=1S/C14H23N3O3/c1-10(2)11-12(18)15-14(20)17(13(11)19)9-5-8-16-6-3-4-7-16/h10-11H,3-9H2,1-2H3,(H,15,18,20)
InChIKeyTZFLODRGWLCFPZ-UHFFFAOYSA-N
XLogP0.82
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.82
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-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione
CID 115948061
3-(2,4,6-trioxo-5-propan-2-yl-1,3-diazinan-1-yl)propane-1-sulfonamide
CID 112599705
1-[2-[cyclopentyl(methyl)amino]ethyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione
CID 115948244
N-[2-(2,4,6-trioxo-5-propan-2-yl-1,3-diazinan-1-yl)ethyl]acetamide
CID 112599352
1-[(5-oxopyrrolidin-2-yl)methyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione
CID 112601050
N-[2-methyl-1-(2,4,6-trioxo-5-propan-2-yl-1,3-diazinan-1-yl)propan-2-yl]methanesulfonamide
CID 115948315
1-[(4-fluorophenyl)methyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione
CID 115945917
7-(3-pyrrolidin-1-ylpropyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 115948116
5-butan-2-yl-2-propan-2-yl-3-(3-pyrrolidin-1-ylpropyl)imidazolidin-4-one
CID 83249654
4,7,8-trimethyl-6-(3-piperidin-1-ylpropyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 73258412
1-methyl-3-propan-2-ylpiperidin-2-one
CID 58763606
1-hexan-2-yl-5-propan-2-yl-1,3-diazinane-2,4,6-trione
CID 112600366

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1-(3-pyrrolidin-1-ylpropyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-propan-2-yl-1-(3-pyrrolidin-1-ylpropyl)-1,3-diazinane-2,4,6-trione (CID 115948114) is 5-propan-2-yl-1-(3-pyrrolidin-1-ylpropyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-propan-2-yl-1-(3-pyrrolidin-1-ylpropyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-propan-2-yl-1-(3-pyrrolidin-1-ylpropyl)-1,3-diazinane-2,4,6-trione is CC(C)C1C(=O)NC(=O)N(CCCN2CCCC2)C1=O.
What is the InChIKey of 5-propan-2-yl-1-(3-pyrrolidin-1-ylpropyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is TZFLODRGWLCFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-10(2)11-12(18)15-14(20)17(13(11)19)9-5-8-16-6-3-4-7-16/h10-11H,3-9H2,1-2H3,(H,15,18,20).
What are the key properties of 5-propan-2-yl-1-(3-pyrrolidin-1-ylpropyl)-1,3-diazinane-2,4,6-trione?
5-propan-2-yl-1-(3-pyrrolidin-1-ylpropyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 281.36 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1-(3-pyrrolidin-1-ylpropyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 115948114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).