1-{[(2R)-1-methylpiperidin-2-yl]methyl}-3-(naphthalene-1-carbonyl)-1H-indole

• ChemBase ID: 125763
• Molecular Formular: C26H26N2O
• Molecular Mass: 382.49744
• Monoisotopic Mass: 382.20451346
• SMILES: O=C(c1cccc2c1cccc2)c1cn(C[C@@H]2N(C)CCCC2)c2ccccc12
• Canonical SMILES: CN1CCCC[C@@H]1Cn1cc(c2c1cccc2)C(=O)c1cccc2c1cccc2
• InChI: InChI=1S/C26H26N2O/c1-27-16-7-6-11-20(27)17-28-18-24(22-13-4-5-15-25(22)28)26(29)23-14-8-10-19-9-2-3-12-21(19)23/h2-5,8-10,12-15,18,20H,6-7,11,16-17H2,1H3/t20-/m1/s1
• InChIKey: URKVBEKZCMUTQC-HXUWFJFHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{[(2R)-1-methylpiperidin-2-yl]methyl}-3-(naphthalene-1-carbonyl)-1H-indole
• IUPAC Traditional name: 1-{[(2R)-1-methylpiperidin-2-yl]methyl}-3-(naphthalene-1-carbonyl)indole
• Synonyms: AM-1220

Database IDs

• CAS Number: 137642-54-7
• PubChem SID: 162220110
• PubChem CID: 9929889; 57503791
• Chemspider ID: 26231035
• Wikipedia Title: AM-1220

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6898265
• LogD (pH = 7.4): 4.411314
• Log P: 5.673291
• Molar Refractivity: 118.8982 cm^3
• Polarizability: 48.519203 Å^3
• Polar Surface Area: 25.24 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Pharmacology Properties

• Legal Status: banned under analog laws in some US states, Temporary Class Drug (NZ)