4-[1-(2-methoxyethyl)pyrrolidine-3-carbonyl]-1,9-dimethyl-1,4,9-triazaspiro[5.5]undecane

• ChemBase ID: 601600
• Molecular Formular: C18H34N4O2
• Molecular Mass: 338.48816
• Monoisotopic Mass: 338.26817635
• SMILES: N1(C(=O)C2CN(CC2)CCOC)CC2(N(CC1)C)CCN(CC2)C
• Canonical SMILES: COCCN1CCC(C1)C(=O)N1CCN(C2(C1)CCN(CC2)C)C
• InChI: InChI=1S/C18H34N4O2/c1-19-8-5-18(6-9-19)15-22(11-10-20(18)2)17(23)16-4-7-21(14-16)12-13-24-3/h16H,4-15H2,1-3H3
• InChIKey: UBJKLEQCKPJXHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[1-(2-methoxyethyl)pyrrolidine-3-carbonyl]-1,9-dimethyl-1,4,9-triazaspiro[5.5]undecane
• IUPAC Traditional name: 4-[1-(2-methoxyethyl)pyrrolidine-3-carbonyl]-1,9-dimethyl-1,4,9-triazaspiro[5.5]undecane
• Synonyms: 4-{[1-(2-methoxyethyl)pyrrolidin-3-yl]carbonyl}-1,9-dimethyl-1,4,9-triazaspiro[5.5]undecane

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -7.7537107
• LogD (pH = 7.4): -3.9300442
• Log P: -0.63425267
• Molar Refractivity: 97.6649 cm^3
• Polarizability: 38.17612 Å^3
• Polar Surface Area: 39.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.52
• LOG S: -2.11
• Polar Surface Area: 39.26 Å^2
• Rotatable Bonds: 4