8-(5-chloropyridine-2-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 551141
• Molecular Formular: C15H18ClN3O2
• Molecular Mass: 307.77532
• Monoisotopic Mass: 307.10875451
• SMILES: N1(C(=O)CC2(C1)CCN(C(=O)c1ncc(cc1)Cl)CC2)C
• Canonical SMILES: Clc1ccc(nc1)C(=O)N1CCC2(CC1)CC(=O)N(C2)C
• InChI: InChI=1S/C15H18ClN3O2/c1-18-10-15(8-13(18)20)4-6-19(7-5-15)14(21)12-3-2-11(16)9-17-12/h2-3,9H,4-8,10H2,1H3
• InChIKey: LGRWMBUDXRRKRS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(5-chloropyridine-2-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 8-(5-chloropyridine-2-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 8-[(5-chloro-2-pyridinyl)carbonyl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.48343515
• LogD (pH = 7.4): 0.48343548
• Log P: 0.48343548
• Molar Refractivity: 79.7668 cm^3
• Polarizability: 30.541777 Å^3
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.54
• LOG S: -1.91
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 1