1-(1-cyclobutanecarbonylpiperidine-4-carbonyl)-4-phenylpiperidin-4-ol

• ChemBase ID: 765911
• Molecular Formular: C22H30N2O3
• Molecular Mass: 370.4852
• Monoisotopic Mass: 370.22564283
• SMILES: C(=O)(N1CCC(CC1)(c1ccccc1)O)C1CCN(C(=O)C2CCC2)CC1
• Canonical SMILES: O=C(N1CCC(CC1)(O)c1ccccc1)C1CCN(CC1)C(=O)C1CCC1
• InChI: InChI=1S/C22H30N2O3/c25-20(17-5-4-6-17)23-13-9-18(10-14-23)21(26)24-15-11-22(27,12-16-24)19-7-2-1-3-8-19/h1-3,7-8,17-18,27H,4-6,9-16H2
• InChIKey: ZTDCIPHAYPVNNK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-cyclobutanecarbonylpiperidine-4-carbonyl)-4-phenylpiperidin-4-ol
• IUPAC Traditional name: 1-(1-cyclobutanecarbonylpiperidine-4-carbonyl)-4-phenylpiperidin-4-ol
• Synonyms: 1-{[1-(cyclobutylcarbonyl)-4-piperidinyl]carbonyl}-4-phenyl-4-piperidinol

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.997465
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3212491
• LogD (pH = 7.4): 1.3212502
• Log P: 1.3212503
• Molar Refractivity: 104.4835 cm^3
• Polarizability: 40.64018 Å^3
• Polar Surface Area: 60.85 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.93
• LOG S: -3.55
• Polar Surface Area: 60.85 Å^2
• Rotatable Bonds: 3