Basic information
- CAS
89562-38-9- Standard SMILES
CCOC(=O)c1[nH]cnc1C(=O)N1CCCCC1- InChIKey
AVUUFTIRIRYYPK-UHFFFAOYSA-N- Molecular formula
- C12H17N3O3
- Average molar mass
- 251.28 g/mol
- Monoisotopic mass
- 251.12699141
Names & identifiers
- Preferred name
- 1H-Imidazole-4-carboxylic acid, 5-(1-piperidinylcarbonyl)-, ethyl ester
- IUPAC
- ethyl 4-(piperidine-1-carbonyl)-1H-imidazole-5-carboxylate
Names & synonyms
89562-38-91H-Imidazole-4-carboxylic acid, 5-(1-piperidinylcarbonyl)-, ethyl esterethyl 4-(piperidine-1-carbonyl)-1H-imidazole-5-carboxylateethyl 4-(1-piperidinylcarbonyl)-1H-imidazole-5-carboxylateCBMicro_000582Oprea1_728357DTXSID70359335SMSF0006929CB02164BIM-0000571.P001AF-399/15285002
Database identifiers
- CAS
89562-38-9- PubChem CID
- 959633
- DTXSID
DTXSID70359335
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 316
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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