Basic information
- CAS
102176-24-9- Standard SMILES
CCCCCCCC1(CCN2CCCCC2)C(=O)NC(=O)NC1=O- InChIKey
XLQPEKLKRKRRKS-UHFFFAOYSA-N- Molecular formula
- C18H31N3O3
- Average molar mass
- 337.5 g/mol
- Monoisotopic mass
- 337.23654186
Names & identifiers
- Preferred name
- Barbituric acid, 5-heptyl-5-(2-piperidinoethyl)-
- IUPAC
- 5-heptyl-5-(2-piperidin-1-ylethyl)-1,3-diazinane-2,4,6-trione
Names & synonyms
BRN 03172755-Heptyl-5-(2-piperidinoethyl)barbituric acidBARBITURIC ACID, 5-HEPTYL-5-(2-PIPERIDINOETHYL)-102176-24-9DTXSID801447194-25-00-04248 (Beilstein Handbook Reference)RefChem:320850DTXCID00672105-HEPTYL-5-[2-(PIPERIDIN-1-YL)ETHYL]-1,3-DIAZINANE-2,4,6-TRIONE
Database identifiers
- CAS
102176-24-9- PubChem CID
- 59243
- DTXSID
DTXSID80144719- Nikkaji
- J62.456J
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 78.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 438
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…