7-(cyclobutylmethyl)-2-[3-oxo-3-(pyrrolidin-1-yl)propyl]-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 475035
• Molecular Formular: C20H33N3O2
• Molecular Mass: 347.49492
• Monoisotopic Mass: 347.25727731
• SMILES: C12(C(=O)N(CC3CCC3)CCC2)CN(CCC(=O)N2CCCC2)CC1
• Canonical SMILES: O=C(N1CCCC1)CCN1CCC2(C1)CCCN(C2=O)CC1CCC1
• InChI: InChI=1S/C20H33N3O2/c24-18(22-10-1-2-11-22)7-13-21-14-9-20(16-21)8-4-12-23(19(20)25)15-17-5-3-6-17/h17H,1-16H2
• InChIKey: FVJSKCLWKFCDKH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(cyclobutylmethyl)-2-[3-oxo-3-(pyrrolidin-1-yl)propyl]-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-(cyclobutylmethyl)-2-[3-oxo-3-(pyrrolidin-1-yl)propyl]-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-(cyclobutylmethyl)-2-[3-oxo-3-(1-pyrrolidinyl)propyl]-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.326661
• LogD (pH = 7.4): -1.3767805
• Log P: 1.1284275
• Molar Refractivity: 99.0846 cm^3
• Polarizability: 38.595695 Å^3
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.11
• LOG S: -3.54
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 5