2-(pyridin-3-ylmethyl)-8-[2-(pyrrolidin-1-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 862311
• Molecular Formular: C21H30N4O2
• Molecular Mass: 370.4885
• Monoisotopic Mass: 370.23687622
• SMILES: N1(C(=O)CCC2(C1)CN(C(=O)CN1CCCC1)CCC2)Cc1cnccc1
• Canonical SMILES: O=C(N1CCCC2(C1)CCC(=O)N(C2)Cc1cccnc1)CN1CCCC1
• InChI: InChI=1S/C21H30N4O2/c26-19-6-8-21(17-25(19)14-18-5-3-9-22-13-18)7-4-12-24(16-21)20(27)15-23-10-1-2-11-23/h3,5,9,13H,1-2,4,6-8,10-12,14-17H2
• InChIKey: FDGMVYGNWTYVER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyridin-3-ylmethyl)-8-[2-(pyrrolidin-1-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 2-(pyridin-3-ylmethyl)-8-[2-(pyrrolidin-1-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
• Synonyms: 2-(3-pyridinylmethyl)-8-(1-pyrrolidinylacetyl)-2,8-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.1572983
• LogD (pH = 7.4): -0.3403606
• Log P: 0.26161125
• Molar Refractivity: 104.6931 cm^3
• Polarizability: 40.65063 Å^3
• Polar Surface Area: 56.75 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.89
• LOG S: -1.36
• Polar Surface Area: 56.75 Å^2
• Rotatable Bonds: 4