9-[2-(morpholin-4-yl)acetyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 834376
• Molecular Formular: C21H30N4O3
• Molecular Mass: 386.4879
• Monoisotopic Mass: 386.23179084
• SMILES: N1(C(=O)CCC2(C1)CCN(C(=O)CN1CCOCC1)CC2)Cc1ccncc1
• Canonical SMILES: O=C(N1CCC2(CC1)CCC(=O)N(C2)Cc1ccncc1)CN1CCOCC1
• InChI: InChI=1S/C21H30N4O3/c26-19-1-4-21(17-25(19)15-18-2-7-22-8-3-18)5-9-24(10-6-21)20(27)16-23-11-13-28-14-12-23/h2-3,7-8H,1,4-6,9-17H2
• InChIKey: VYARPWFRXIIFMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-[2-(morpholin-4-yl)acetyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 9-[2-(morpholin-4-yl)acetyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
• Synonyms: 9-(morpholin-4-ylacetyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.0735557
• LogD (pH = 7.4): -0.5298887
• Log P: -0.51859415
• Molar Refractivity: 106.3806 cm^3
• Polarizability: 41.355736 Å^3
• Polar Surface Area: 65.98 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: 0.01
• LOG S: -2.04
• Polar Surface Area: 65.98 Å^2
• Rotatable Bonds: 4