3-[[4-(3-Aminopiperidin-1-yl)-3-[(2-cyanophenyl)methyl]-2,6-dioxopyrimidin-1-yl]methyl]benzoic acid
Basic information
- Standard SMILES
N#Cc1ccccc1Cn1c(N2CCCC(N)C2)cc(=O)n(Cc2cccc(C(=O)O)c2)c1=O- InChIKey
UZCQJGIZQLXZPF-UHFFFAOYSA-N- Molecular formula
- C25H25N5O4
- Average molar mass
- 459.5 g/mol
Names & identifiers
- Preferred name
- 3-[[4-(3-Aminopiperidin-1-yl)-3-[(2-cyanophenyl)methyl]-2,6-dioxopyrimidin-1-yl]methyl]benzoic acid
- IUPAC
- 3-[[4-(3-aminopiperidin-1-yl)-3-[(2-cyanophenyl)methyl]-2,6-dioxopyrimidin-1-yl]methyl]benzoic acid
Names & synonyms
SCHEMBL390640
Database identifiers
- PubChem CID
- 11201985
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 880
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Related reactions
1 records
Compound notes
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