Basic information
- Standard SMILES
CCOC(=O)NC1(CN2CCNCC2=O)CCN(c2ccnc(C)c2)CC1.Cl- InChIKey
YXRMVQVCFAKFPE-UHFFFAOYSA-N- Molecular formula
- C19H30ClN5O3
- Average molar mass
- 411.9 g/mol
- Monoisotopic mass
- 411.2037175
Names & identifiers
- Preferred name
- 1-{[4-Ethoxycarbonylamino-1-(2-methyl-4-pyridyl)-4-piperidinyl]methyl}-2-piperazinone Hydrochloride
- IUPAC
- ethyl N-[1-(2-methyl-4-pyridinyl)-4-[(2-oxopiperazin-1-yl)methyl]piperidin-4-yl]carbamate;hydrochloride
Names & synonyms
SCHEMBL5741228YXRMVQVCFAKFPE-UHFFFAOYSA-N1-{[4-Ethoxycarbonylamino-1-(2-methyl-4-pyridyl)-4-piperidinyl]methyl}-2-piperazinone Hydrochloride
Database identifiers
- PubChem CID
- 21948312
Properties
Computed structural properties
- Topological polar surface area
- 86.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 521
Related reactions
5 records
Compound notes
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