5-({4-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl}methyl)quinoxaline

• ChemBase ID: 451709
• Molecular Formular: C24H33N5O
• Molecular Mass: 407.55172
• Monoisotopic Mass: 407.2685107
• SMILES: C(=O)(N1CCCC1)C1CCN(C2CCN(Cc3c4nccnc4ccc3)CC2)CC1
• Canonical SMILES: O=C(N1CCCC1)C1CCN(CC1)C1CCN(CC1)Cc1cccc2c1nccn2
• InChI: InChI=1S/C24H33N5O/c30-24(29-12-1-2-13-29)19-6-16-28(17-7-19)21-8-14-27(15-9-21)18-20-4-3-5-22-23(20)26-11-10-25-22/h3-5,10-11,19,21H,1-2,6-9,12-18H2
• InChIKey: SBULXJYPTDATCE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-({4-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl}methyl)quinoxaline
• IUPAC Traditional name: 5-({4-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl}methyl)quinoxaline
• Synonyms: 4-(1-pyrrolidinylcarbonyl)-1'-(5-quinoxalinylmethyl)-1,4'-bipiperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -3.5952454
• LogD (pH = 7.4): -1.1440165
• Log P: 1.386599
• Molar Refractivity: 118.9827 cm^3
• Polarizability: 47.616085 Å^3
• Polar Surface Area: 52.57 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: 0.21
• LOG S: -1.65
• Polar Surface Area: 52.57 Å^2
• Rotatable Bonds: 4