2-{3-[(1H-1,3-benzodiazol-2-yl)methyl]-1-(2-methylpropyl)piperidin-4-yl}acetic acid
AlkaPlorer ID: AK057413
Synonym: None
IUPAC Name: 2-[(3R,4S)-3-(1H-benzimidazol-2-ylmethyl)-1-(2-methylpropyl)piperidin-4-yl]acetic acid
Structure
SMILES: CC(C)CN1CC[C@@H](CC(=O)O)[C@@H](CC2=NC3=CC=CC=C3N2)C1
InChI: InChI=1S/C19H27N3O2/c1-13(2)11-22-8-7-14(10-19(23)24)15(12-22)9-18-20-16-5-3-4-6-17(16)21-18/h3-6,13-15H,7-12H2,1-2H3,(H,20,21)(H,23,24)/t14-,15-/m0/s1
InChIKey: ZXTRBLQMNWAXNF-GJZGRUSLSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 329.444
TPSA？: 69.22
MolLogP？: 3.1742000000000017
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|