Basic information
- Standard SMILES
CCCC(C(=O)OC)c1c(C)nc(N2CCCCC2)[nH]c1=O- InChIKey
ZKPPXBLMUMYEMG-UHFFFAOYSA-N- Molecular formula
- C16H25N3O3
- Average molar mass
- 307.39 g/mol
Names & identifiers
- Preferred name
- Methyl 2-(4-methyl-6-oxo-2-(piperidin-1-yl)-1,6-dihydropyrimidin-5-yl)pentanoate
- IUPAC
- methyl 2-(4-methyl-6-oxo-2-piperidin-1-yl-1H-pyrimidin-5-yl)pentanoate
Names & synonyms
SCHEMBL1227272ZKPPXBLMUMYEMG-UHFFFAOYSA-Nmethyl 2-(4-methyl-6-oxo-2-(piperidin-1-yl)-1,6-dihydropyrimidin-5-yl)pentanoate
Database identifiers
- PubChem CID
- 136346161
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 71 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 505
Related reactions
1 records
Compound notes
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