1-cyclopentanecarbonyl-N-[3-(pyridin-2-yl)propyl]piperidine-4-carboxamide

• ChemBase ID: 859534
• Molecular Formular: C20H29N3O2
• Molecular Mass: 343.46316
• Monoisotopic Mass: 343.22597718
• SMILES: N1(C(=O)C2CCCC2)CCC(C(=O)NCCCc2ncccc2)CC1
• Canonical SMILES: O=C(C1CCN(CC1)C(=O)C1CCCC1)NCCCc1ccccn1
• InChI: InChI=1S/C20H29N3O2/c24-19(22-13-5-9-18-8-3-4-12-21-18)16-10-14-23(15-11-16)20(25)17-6-1-2-7-17/h3-4,8,12,16-17H,1-2,5-7,9-11,13-15H2,(H,22,24)
• InChIKey: SAYTTWCIZAAACY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopentanecarbonyl-N-[3-(pyridin-2-yl)propyl]piperidine-4-carboxamide
• IUPAC Traditional name: 1-cyclopentanecarbonyl-N-[3-(pyridin-2-yl)propyl]piperidine-4-carboxamide
• Synonyms: 1-(cyclopentylcarbonyl)-N-[3-(2-pyridinyl)propyl]-4-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.692698
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.6424084
• LogD (pH = 7.4): 1.6891556
• Log P: 1.689788
• Molar Refractivity: 97.3492 cm^3
• Polarizability: 38.01142 Å^3
• Polar Surface Area: 62.3 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.58
• LOG S: -1.75
• Polar Surface Area: 62.3 Å^2
• Rotatable Bonds: 6