1-[7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-2-yl]-2-methoxyethan-1-one

• ChemBase ID: 512140
• Molecular Formular: C15H26N2O2
• Molecular Mass: 266.37914
• Monoisotopic Mass: 266.19942808
• SMILES: N1(C(=O)COC)CC2(CN(CC3CC3)CCC2)CC1
• Canonical SMILES: COCC(=O)N1CCC2(C1)CCCN(C2)CC1CC1
• InChI: InChI=1S/C15H26N2O2/c1-19-10-14(18)17-8-6-15(12-17)5-2-7-16(11-15)9-13-3-4-13/h13H,2-12H2,1H3
• InChIKey: WQUPFQPGORNMMW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-2-yl]-2-methoxyethan-1-one
• IUPAC Traditional name: 1-[7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-2-yl]-2-methoxyethanone
• Synonyms: 7-(cyclopropylmethyl)-2-(methoxyacetyl)-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.831392
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.8336635
• LogD (pH = 7.4): -1.6156474
• Log P: 0.5713018
• Molar Refractivity: 75.4363 cm^3
• Polarizability: 29.59921 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.16
• LOG S: -0.21
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 3