Ethyl N-methylpiperidine-3-carboxylate
AlkaPlorer ID: AK019183
Synonym: ''
IUPAC Name: 2-[methyl-[2-[(R)-[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfinyl]benzimidazole-1-carbonyl]amino]ethyl 1-methylpiperidine-4-carboxylate
Structure
SMILES: CC1=C(OCC(F)(F)F)C=CN=C1C[S@@](=O)C1=NC2=CC=CC=C2N1C(=O)N(C)CCOC(=O)C1CCN(C)CC1
InChI: InChI=1S/C27H32F3N5O5S/c1-18-21(31-11-8-23(18)40-17-27(28,29)30)16-41(38)25-32-20-6-4-5-7-22(20)35(25)26(37)34(3)14-15-39-24(36)19-9-12-33(2)13-10-19/h4-8,11,19H,9-10,12-17H2,1-3H3/t41-/m1/s1
InChIKey: RRKXWMODKLBAGM-VQJSHJPSSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Areca catechu | Areca | Arecaceae | Arecales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 595.644
TPSA？: 106.86
MolLogP？: 3.773520000000002
Number of H-Donors: 0
Number of H-Acceptors: 9
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|