4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N-phenylpiperidine-1-carboxamide

• ChemBase ID: 511372
• Molecular Formular: C23H29N3O2
• Molecular Mass: 379.49526
• Monoisotopic Mass: 379.22597718
• SMILES: C(=O)(N1CCC(NC2Cc3c(CC2)ccc(c3)OC)CC1)Nc1ccccc1
• Canonical SMILES: COc1ccc2c(c1)CC(CC2)NC1CCN(CC1)C(=O)Nc1ccccc1
• InChI: InChI=1S/C23H29N3O2/c1-28-22-10-8-17-7-9-21(15-18(17)16-22)24-20-11-13-26(14-12-20)23(27)25-19-5-3-2-4-6-19/h2-6,8,10,16,20-21,24H,7,9,11-15H2,1H3,(H,25,27)
• InChIKey: LRIFDBUBVHRREG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N-phenylpiperidine-1-carboxamide
• IUPAC Traditional name: 4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N-phenylpiperidine-1-carboxamide
• Synonyms: 4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N-phenylpiperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.42456
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.13699782
• LogD (pH = 7.4): 0.60329354
• Log P: 3.3682082
• Molar Refractivity: 112.9591 cm^3
• Polarizability: 43.10501 Å^3
• Polar Surface Area: 53.6 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.47
• LOG S: -4.08
• Polar Surface Area: 53.6 Å^2
• Rotatable Bonds: 4