4-[3-(azetidine-1-carbonyl)piperidin-1-yl]-1-(2,3-dihydro-1H-inden-2-yl)piperidine

• ChemBase ID: 849432
• Molecular Formular: C23H33N3O
• Molecular Mass: 367.52762
• Monoisotopic Mass: 367.26236269
• SMILES: C(=O)(C1CN(C2CCN(C3Cc4c(C3)cccc4)CC2)CCC1)N1CCC1
• Canonical SMILES: O=C(N1CCC1)C1CCCN(C1)C1CCN(CC1)C1Cc2c(C1)cccc2
• InChI: InChI=1S/C23H33N3O/c27-23(25-11-4-12-25)20-7-3-10-26(17-20)21-8-13-24(14-9-21)22-15-18-5-1-2-6-19(18)16-22/h1-2,5-6,20-22H,3-4,7-17H2
• InChIKey: YRCPGVWUOVDIIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[3-(azetidine-1-carbonyl)piperidin-1-yl]-1-(2,3-dihydro-1H-inden-2-yl)piperidine
• IUPAC Traditional name: 4-[3-(azetidine-1-carbonyl)piperidin-1-yl]-1-(2,3-dihydro-1H-inden-2-yl)piperidine
• Synonyms: 3-(azetidin-1-ylcarbonyl)-1'-(2,3-dihydro-1H-inden-2-yl)-1,4'-bipiperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -3.5347953
• LogD (pH = 7.4): -1.1030765
• Log P: 2.087628
• Molar Refractivity: 110.5265 cm^3
• Polarizability: 42.83788 Å^3
• Polar Surface Area: 26.79 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: 3.11
• LOG S: -4.54
• Polar Surface Area: 26.79 Å^2
• Rotatable Bonds: 3