1-(cyclohexylmethyl)-7-methoxy-3-(3,4,5-trimethylpiperazine-1-carbonyl)-1H-indole

• ChemBase ID: 128738
• Molecular Formular: C24H35N3O2
• Molecular Mass: 397.5536
• Monoisotopic Mass: 397.27292738
• SMILES: COc1cccc2c1n(CC1CCCCC1)cc2C(=O)N1CC(C)N(C(C1)C)C
• Canonical SMILES: COc1cccc2c1n(CC1CCCCC1)cc2C(=O)N1CC(C)N(C(C1)C)C
• InChI: InChI=1S/C24H35N3O2/c1-17-13-27(14-18(2)25(17)3)24(28)21-16-26(15-19-9-6-5-7-10-19)23-20(21)11-8-12-22(23)29-4/h8,11-12,16-19H,5-7,9-10,13-15H2,1-4H3
• InChIKey: DMYGECJTVMCGEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclohexylmethyl)-7-methoxy-3-(3,4,5-trimethylpiperazine-1-carbonyl)-1H-indole
• IUPAC Traditional name: 1-(cyclohexylmethyl)-7-methoxy-3-(3,4,5-trimethylpiperazine-1-carbonyl)indole
• Synonyms: Org 28312

Database IDs

• PubChem SID: 162223044
• PubChem CID: 10069407
• CHEMBL: 1209708
• Chemspider ID: 24581999
• Wikipedia Title: Org_28312

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.1267016
• LogD (pH = 7.4): 3.8071115
• Log P: 4.230558
• Molar Refractivity: 118.0089 cm^3
• Polarizability: 46.683865 Å^3
• Polar Surface Area: 37.71 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true