2-[1-(1-cyclopentanecarbonylpiperidine-4-carbonyl)piperidin-2-yl]pyridine

• ChemBase ID: 623054
• Molecular Formular: C22H31N3O2
• Molecular Mass: 369.50044
• Monoisotopic Mass: 369.24162725
• SMILES: N1(C(=O)C2CCN(C(=O)C3CCCC3)CC2)C(c2ncccc2)CCCC1
• Canonical SMILES: O=C(N1CCCCC1c1ccccn1)C1CCN(CC1)C(=O)C1CCCC1
• InChI: InChI=1S/C22H31N3O2/c26-21(17-7-1-2-8-17)24-15-11-18(12-16-24)22(27)25-14-6-4-10-20(25)19-9-3-5-13-23-19/h3,5,9,13,17-18,20H,1-2,4,6-8,10-12,14-16H2
• InChIKey: HEVCCCGYBAATRR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[1-(1-cyclopentanecarbonylpiperidine-4-carbonyl)piperidin-2-yl]pyridine
• IUPAC Traditional name: 2-[1-(1-cyclopentanecarbonylpiperidine-4-carbonyl)piperidin-2-yl]pyridine
• Synonyms: 2-(1-{[1-(cyclopentylcarbonyl)-4-piperidinyl]carbonyl}-2-piperidinyl)pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.4358373
• LogD (pH = 7.4): 2.4499297
• Log P: 2.4501126
• Molar Refractivity: 104.6788 cm^3
• Polarizability: 40.96369 Å^3
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.3
• LOG S: -2.56
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 3