1-[1-(3-phenylpropyl)piperidin-4-yl]-3-(pyrrolidine-1-carbonyl)piperidine

• ChemBase ID: 474725
• Molecular Formular: C24H37N3O
• Molecular Mass: 383.57008
• Monoisotopic Mass: 383.29366282
• SMILES: C(=O)(C1CN(C2CCN(CC2)CCCc2ccccc2)CCC1)N1CCCC1
• Canonical SMILES: O=C(N1CCCC1)C1CCCN(C1)C1CCN(CC1)CCCc1ccccc1
• InChI: InChI=1S/C24H37N3O/c28-24(26-15-4-5-16-26)22-11-7-17-27(20-22)23-12-18-25(19-13-23)14-6-10-21-8-2-1-3-9-21/h1-3,8-9,22-23H,4-7,10-20H2
• InChIKey: WNNWJMNFRCRJKE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[1-(3-phenylpropyl)piperidin-4-yl]-3-(pyrrolidine-1-carbonyl)piperidine
• IUPAC Traditional name: 1-[1-(3-phenylpropyl)piperidin-4-yl]-3-(pyrrolidine-1-carbonyl)piperidine
• Synonyms: 1'-(3-phenylpropyl)-3-(pyrrolidin-1-ylcarbonyl)-1,4'-bipiperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.6414278
• LogD (pH = 7.4): -0.20817241
• Log P: 2.9499037
• Molar Refractivity: 116.7923 cm^3
• Polarizability: 45.499958 Å^3
• Polar Surface Area: 26.79 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.91
• LOG S: -5.34
• Polar Surface Area: 26.79 Å^2
• Rotatable Bonds: 6