1-(1-cyclopentanecarbonylpiperidine-4-carbonyl)-4-(pyridin-4-yl)piperazine

• ChemBase ID: 715636
• Molecular Formular: C21H30N4O2
• Molecular Mass: 370.4885
• Monoisotopic Mass: 370.23687622
• SMILES: C(=O)(N1CCN(c2ccncc2)CC1)C1CCN(C(=O)C2CCCC2)CC1
• Canonical SMILES: O=C(N1CCN(CC1)c1ccncc1)C1CCN(CC1)C(=O)C1CCCC1
• InChI: InChI=1S/C21H30N4O2/c26-20(17-3-1-2-4-17)24-11-7-18(8-12-24)21(27)25-15-13-23(14-16-25)19-5-9-22-10-6-19/h5-6,9-10,17-18H,1-4,7-8,11-16H2
• InChIKey: DTQMYYPEQMEYMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-cyclopentanecarbonylpiperidine-4-carbonyl)-4-(pyridin-4-yl)piperazine
• IUPAC Traditional name: 1-(1-cyclopentanecarbonylpiperidine-4-carbonyl)-4-(pyridin-4-yl)piperazine
• Synonyms: 1-{[1-(cyclopentylcarbonyl)-4-piperidinyl]carbonyl}-4-(4-pyridinyl)piperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.33715305
• LogD (pH = 7.4): 0.48546267
• Log P: 1.3200849
• Molar Refractivity: 105.2497 cm^3
• Polarizability: 40.26696 Å^3
• Polar Surface Area: 56.75 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: 1.44
• LOG S: -3.13
• Polar Surface Area: 56.75 Å^2
• Rotatable Bonds: 3