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

• ChemBase ID: 128739
• Molecular Formular: C23H33N3O2
• Molecular Mass: 383.52702
• Monoisotopic Mass: 383.25727731
• SMILES: COc1cccc2c1n(cc2C(=O)N1CC(C)N(CC1)C)CC1CCCCC1
• Canonical SMILES: COc1cccc2c1n(CC1CCCCC1)cc2C(=O)N1CCN(C(C1)C)C
• InChI: InChI=1S/C23H33N3O2/c1-17-14-25(13-12-24(17)2)23(27)20-16-26(15-18-8-5-4-6-9-18)22-19(20)10-7-11-21(22)28-3/h7,10-11,16-18H,4-6,8-9,12-15H2,1-3H3
• InChIKey: ONXJNAIZJKLJGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclohexylmethyl)-3-(3,4-dimethylpiperazine-1-carbonyl)-7-methoxy-1H-indole
• IUPAC Traditional name: 1-(cyclohexylmethyl)-3-(3,4-dimethylpiperazine-1-carbonyl)-7-methoxyindole
• Synonyms: Org 28611

Database IDs

• CAS Number: 639068-99-8
• PubChem SID: 162223045
• PubChem CID: 10091392; 69488934
• CHEMBL: 1209709
• Chemspider ID: 8266929
• Wikipedia Title: Org_28611

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.9801753
• LogD (pH = 7.4): 3.543508
• Log P: 3.813983
• Molar Refractivity: 113.5901 cm^3
• Polarizability: 44.83885 Å^3
• Polar Surface Area: 37.71 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true