3-(adamantane-1-carbonyl)-1-[(1-methylpiperidin-2-yl)methyl]-1H-indole

• ChemBase ID: 125766
• Molecular Formular: C26H34N2O
• Molecular Mass: 390.56096
• Monoisotopic Mass: 390.26711372
• SMILES: CN1CCCCC1Cn1cc(c2c1cccc2)C(=O)C12CC3CC(C1)CC(C3)C2
• Canonical SMILES: CN1CCCCC1Cn1cc(c2c1cccc2)C(=O)C12CC3CC(C2)CC(C1)C3
• InChI: InChI=1S/C26H34N2O/c1-27-9-5-4-6-21(27)16-28-17-23(22-7-2-3-8-24(22)28)25(29)26-13-18-10-19(14-26)12-20(11-18)15-26/h2-3,7-8,17-21H,4-6,9-16H2,1H3
• InChIKey: JRECAXBHMULNJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(adamantane-1-carbonyl)-1-[(1-methylpiperidin-2-yl)methyl]-1H-indole
• IUPAC Traditional name: 3-(adamantane-1-carbonyl)-1-[(1-methylpiperidin-2-yl)methyl]indole
• Synonyms: Adamantan-1-yl(1-((1-methylpiperidin-2-yl)methyl)-1H-indol-3-yl)methanone; AM-1248

Database IDs

• CAS Number: 335160-66-2
• PubChem SID: 162220113
• PubChem CID: 10293794
• Wikipedia Title: AM-1248

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.4007657
• LogD (pH = 7.4): 4.1219015
• Log P: 5.385231
• Molar Refractivity: 118.0199 cm^3
• Polarizability: 47.33483 Å^3
• Polar Surface Area: 25.24 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Pharmacology Properties

• Legal Status: Temporary Class Drug (NZ)

Product Information

• Purity: 95+%