(3R,5R)-1-benzyl-3-(piperidine-1-carbonyl)-5-(pyrrolidin-1-ylmethyl)piperidine

• ChemBase ID: 508353
• Molecular Formular: C23H35N3O
• Molecular Mass: 369.5435
• Monoisotopic Mass: 369.27801276
• SMILES: [C@H]1(C(=O)N2CCCCC2)CN(C[C@H](C1)CN1CCCC1)Cc1ccccc1
• Canonical SMILES: O=C(N1CCCCC1)[C@@H]1C[C@H](CN2CCCC2)CN(C1)Cc1ccccc1
• InChI: InChI=1S/C23H35N3O/c27-23(26-13-5-2-6-14-26)22-15-21(17-24-11-7-8-12-24)18-25(19-22)16-20-9-3-1-4-10-20/h1,3-4,9-10,21-22H,2,5-8,11-19H2/t21-,22-/m1/s1
• InChIKey: GLBPAUPBZUYZGL-FGZHOGPDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R,5R)-1-benzyl-3-(piperidine-1-carbonyl)-5-(pyrrolidin-1-ylmethyl)piperidine
• IUPAC Traditional name: (3R,5R)-1-benzyl-3-(piperidine-1-carbonyl)-5-(pyrrolidin-1-ylmethyl)piperidine
• Synonyms: (3R,5R)-1-benzyl-3-(1-piperidinylcarbonyl)-5-(1-pyrrolidinylmethyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.9677167
• LogD (pH = 7.4): -0.32813218
• Log P: 2.7188313
• Molar Refractivity: 112.1555 cm^3
• Polarizability: 43.730083 Å^3
• Polar Surface Area: 26.79 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.23
• LOG S: -1.63
• Polar Surface Area: 26.79 Å^2
• Rotatable Bonds: 5