2-{3-[(1H-1,3-benzodiazol-2-yl)methyl]-1-hexanoylpiperidin-4-yl}acetic acid
AlkaPlorer ID: AK054136
Synonym: None
IUPAC Name: 2-[(3R,4S)-3-(1H-benzimidazol-2-ylmethyl)-1-hexanoylpiperidin-4-yl]acetic acid
Structure
SMILES: CCCCCC(=O)N1CC[C@@H](CC(=O)O)[C@@H](CC2=NC3=CC=CC=C3N2)C1
InChI: InChI=1S/C21H29N3O3/c1-2-3-4-9-20(25)24-11-10-15(13-21(26)27)16(14-24)12-19-22-17-7-5-6-8-18(17)23-19/h5-8,15-16H,2-4,9-14H2,1H3,(H,22,23)(H,26,27)/t15-,16-/m0/s1
InChIKey: CCCQPSWDXUUAAQ-HOTGVXAUSA-N
Source
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Properties Information
Molecule Weight: 371.4810000000001
TPSA？: 86.28999999999999
MolLogP？: 3.6251000000000015
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 3
Activities Information
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