8-(6-aminohexanoyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 563099
• Molecular Formular: C21H32N4O2
• Molecular Mass: 372.50438
• Monoisotopic Mass: 372.25252628
• SMILES: N1(C(=O)CCC2(C1)CN(C(=O)CCCCCN)CCC2)Cc1ncccc1
• Canonical SMILES: NCCCCCC(=O)N1CCCC2(C1)CCC(=O)N(C2)Cc1ccccn1
• InChI: InChI=1S/C21H32N4O2/c22-12-4-1-2-8-19(26)24-14-6-10-21(16-24)11-9-20(27)25(17-21)15-18-7-3-5-13-23-18/h3,5,7,13H,1-2,4,6,8-12,14-17,22H2
• InChIKey: GDCNRHDGBKODAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(6-aminohexanoyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 8-(6-aminohexanoyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
• Synonyms: 8-(6-aminohexanoyl)-2-(2-pyridinylmethyl)-2,8-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.5052066
• LogD (pH = 7.4): -2.067967
• Log P: 0.5364686
• Molar Refractivity: 105.217 cm^3
• Polarizability: 41.378094 Å^3
• Polar Surface Area: 79.53 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.39
• LOG S: -0.95
• Polar Surface Area: 79.53 Å^2
• Rotatable Bonds: 7