6-[4-(2-phenylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide

• ChemBase ID: 128118
• Molecular Formular: C32H39N3O
• Molecular Mass: 481.67156
• Monoisotopic Mass: 481.30931288
• SMILES: C1CCc2ccccc2C1NC(=O)CCCCCN1CCN(CC1)c1ccccc1c1ccccc1
• Canonical SMILES: O=C(NC1CCCc2c1cccc2)CCCCCN1CCN(CC1)c1ccccc1c1ccccc1
• InChI: InChI=1S/C32H39N3O/c36-32(33-30-18-11-15-26-14-6-7-16-28(26)30)20-5-2-10-21-34-22-24-35(25-23-34)31-19-9-8-17-29(31)27-12-3-1-4-13-27/h1,3-4,6-9,12-14,16-17,19,30H,2,5,10-11,15,18,20-25H2,(H,33,36)
• InChIKey: NMZIDFFHGCRAJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[4-(2-phenylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
• IUPAC Traditional name: 6-[4-(2-phenylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
• Synonyms: LP-12

Database IDs

• PubChem SID: 162222432
• PubChem CID: 23643664
• Wikipedia Title: LP-12

CALCULATED PROPERTIES

• Acid pKa: 15.887763
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.5679586
• LogD (pH = 7.4): 5.271121
• Log P: 6.5984287
• Molar Refractivity: 149.9272 cm^3
• Polarizability: 59.108597 Å^3
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false