2-(5-chloropyridin-2-yl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 695658
• Molecular Formular: C16H22ClN3O
• Molecular Mass: 307.81838
• Monoisotopic Mass: 307.14514002
• SMILES: C12(C(=O)N(CCC2)CCC)CN(c2ncc(cc2)Cl)CC1
• Canonical SMILES: CCCN1CCCC2(C1=O)CCN(C2)c1ccc(cn1)Cl
• InChI: InChI=1S/C16H22ClN3O/c1-2-8-19-9-3-6-16(15(19)21)7-10-20(12-16)14-5-4-13(17)11-18-14/h4-5,11H,2-3,6-10,12H2,1H3
• InChIKey: IODLNGKAOHEACA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-chloropyridin-2-yl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-(5-chloropyridin-2-yl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-(5-chloropyridin-2-yl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.8600578
• LogD (pH = 7.4): 2.8929222
• Log P: 2.893359
• Molar Refractivity: 85.3335 cm^3
• Polarizability: 32.458496 Å^3
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.89
• LOG S: -3.91
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 3