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

• ChemBase ID: 340413
• Molecular Formular: C21H30N4O3
• Molecular Mass: 386.4879
• Monoisotopic Mass: 386.23179084
• SMILES: N1(C(=O)CCC2(C1)CCN(C(=O)CC1OCCNC1)CC2)Cc1ccncc1
• Canonical SMILES: O=C(N1CCC2(CC1)CCC(=O)N(C2)Cc1ccncc1)CC1CNCCO1
• InChI: InChI=1S/C21H30N4O3/c26-19-1-4-21(16-25(19)15-17-2-7-22-8-3-17)5-10-24(11-6-21)20(27)13-18-14-23-9-12-28-18/h2-3,7-8,18,23H,1,4-6,9-16H2
• InChIKey: JDWRJHYCHLYYSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -3.4811628
• LogD (pH = 7.4): -1.684349
• Log P: -0.6048623
• Molar Refractivity: 105.4555 cm^3
• Polarizability: 41.355736 Å^3
• Polar Surface Area: 74.77 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -1.02
• LOG S: -1.16
• Polar Surface Area: 74.77 Å^2
• Rotatable Bonds: 4