1-(1-cyclopropanecarbonylpiperidine-4-carbonyl)-4-(pyridin-3-yl)piperidin-4-ol

• ChemBase ID: 371071
• Molecular Formular: C20H27N3O3
• Molecular Mass: 357.44668
• Monoisotopic Mass: 357.20524174
• SMILES: C(=O)(N1CCC(C(=O)N2CCC(CC2)(c2cnccc2)O)CC1)C1CC1
• Canonical SMILES: O=C(N1CCC(CC1)(O)c1cccnc1)C1CCN(CC1)C(=O)C1CC1
• InChI: InChI=1S/C20H27N3O3/c24-18(15-3-4-15)22-10-5-16(6-11-22)19(25)23-12-7-20(26,8-13-23)17-2-1-9-21-14-17/h1-2,9,14-16,26H,3-8,10-13H2
• InChIKey: JLKMEEIOQLCKNH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-cyclopropanecarbonylpiperidine-4-carbonyl)-4-(pyridin-3-yl)piperidin-4-ol
• IUPAC Traditional name: 1-(1-cyclopropanecarbonylpiperidine-4-carbonyl)-4-(pyridin-3-yl)piperidin-4-ol
• Synonyms: 1-{[1-(cyclopropylcarbonyl)-4-piperidinyl]carbonyl}-4-(3-pyridinyl)-4-piperidinol

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.7855625
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.39547214
• LogD (pH = 7.4): -0.3417324
• Log P: -0.3409908
• Molar Refractivity: 97.7256 cm^3
• Polarizability: 37.916298 Å^3
• Polar Surface Area: 73.74 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.13
• LOG S: -3.0
• Polar Surface Area: 73.74 Å^2
• Rotatable Bonds: 3