Basic information
- CAS
1042-22-4- Standard SMILES
O=C1NC(=O)C(CCN2CCCCC2)(c2ccccc2)C(=O)N1- InChIKey
IEJANWYSGVNAOH-UHFFFAOYSA-N- Molecular formula
- C17H21N3O3
- Average molar mass
- 315.37 g/mol
- Monoisotopic mass
- 315.15829154
Names & identifiers
- Preferred name
- 5-(2-Piperidinoethyl)-5-phenylbarbituric acid
- IUPAC
- 5-phenyl-5-(2-piperidin-1-ylethyl)-1,3-diazinane-2,4,6-trione
Names & synonyms
RRI5FWJ7281042-22-45-Phenyl-5-(2-(1-piperidinyl)ethyl)-2,4,6(1H,3H,5H)-pyrimidinetrioneNSC 80036UNII-RRI5FWJ7285-(2-Piperidinoethyl)-5-phenylbarbituric acidDTXSID10146342NSC-80036BARBITURIC ACID, 5-PHENYL-5-(2-PIPERIDINOETHYL)-2,4,6(1H,3H,5H)-PYRIMIDINETRIONE, 5-PHENYL-5-(2-(1-PIPERIDINYL)ETHYL)-RefChem:198844DTXCID3068833
Show more names
NSC800365-phenyl-5-[2-(1-piperidyl)ethyl]hexahydropyrimidine-2,4,6-trione5-PHENYL-5-[2-(PIPERIDIN-1-YL)ETHYL]-1,3-DIAZINANE-2,4,6-TRIONE
Database identifiers
- CAS
1042-22-4- PubChem CID
- 416593
- DTXSID
DTXSID10146342- UNII
- RRI5FWJ728
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 78.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 459
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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