1-[1-(1-cyclopropanecarbonylpiperidin-4-yl)piperidine-3-carbonyl]-1,2,3,6-tetrahydropyridine

• ChemBase ID: 447506
• Molecular Formular: C20H31N3O2
• Molecular Mass: 345.47904
• Monoisotopic Mass: 345.24162725
• SMILES: C(=O)(C1CN(C2CCN(C(=O)C3CC3)CC2)CCC1)N1CC=CCC1
• Canonical SMILES: O=C(N1CCC=CC1)C1CCCN(C1)C1CCN(CC1)C(=O)C1CC1
• InChI: InChI=1S/C20H31N3O2/c24-19(16-6-7-16)22-13-8-18(9-14-22)23-12-4-5-17(15-23)20(25)21-10-2-1-3-11-21/h1-2,16-18H,3-15H2
• InChIKey: XARCWRUKGRUCKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[1-(1-cyclopropanecarbonylpiperidin-4-yl)piperidine-3-carbonyl]-1,2,3,6-tetrahydropyridine
• IUPAC Traditional name: 1-[1-(1-cyclopropanecarbonylpiperidin-4-yl)piperidine-3-carbonyl]-3,6-dihydro-2H-pyridine
• Synonyms: 1'-(cyclopropylcarbonyl)-3-(3,6-dihydropyridin-1(2H)-ylcarbonyl)-1,4'-bipiperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.6515014
• LogD (pH = 7.4): -1.3782641
• Log P: 0.7374457
• Molar Refractivity: 100.0577 cm^3
• Polarizability: 38.353123 Å^3
• Polar Surface Area: 43.86 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: 1.51
• LOG S: -3.01
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 3