2-{3-[(7-methoxy-1H-1,3-benzodiazol-2-yl)methyl]piperidin-4-yl}acetic acid
AlkaPlorer ID: AK361103
Synonym: None
IUPAC Name: 2-[3-[(4-methoxy-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]acetic acid
Structure
SMILES: COC1=CC=CC2=C1NC(CC1CNCCC1CC(=O)O)=N2
InChI: InChI=1S/C16H21N3O3/c1-22-13-4-2-3-12-16(13)19-14(18-12)7-11-9-17-6-5-10(11)8-15(20)21/h2-4,10-11,17H,5-9H2,1H3,(H,18,19)(H,20,21)
InChIKey: CXUQWORYNREGOL-UHFFFAOYSA-N
Reference
Sesquiterpene lactones and acetylenes from Artemisia reptans
PubChem CID: 162889135
COCONUT: CNP0155887.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 303.362
TPSA？: 87.24
MolLogP？: 1.8144
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|