Basic information
- Standard SMILES
CCOC(=O)C(c1cccnc1)N1CCN(C(C)=O)CC1- InChIKey
SEQAZNVVPZMXSY-UHFFFAOYSA-N- Molecular formula
- C15H21N3O3
- Average molar mass
- 291.35 g/mol
Names & identifiers
- Preferred name
- (4-Acetyl-piperazin-1-yl)pyridin-3-yl-acetic acid ethyl ester
- IUPAC
- ethyl 2-(4-acetylpiperazin-1-yl)-2-pyridin-3-ylacetate
Names & synonyms
SCHEMBL6642398SEQAZNVVPZMXSY-UHFFFAOYSA-N(4-Acetyl-piperazin-1-yl)pyridin-3-yl-acetic acid ethyl ester(4-Acetyl-piperazin-1-yl)-pyridin-3-yl-acetic acid ethyl ester
Database identifiers
- PubChem CID
- 69849407
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 62.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 367
Related reactions
2 records
Compound notes
Loading…