2-(4-phenylpiperazine-1-carbonyl)-3-(piperidine-1-carbonyl)pyrazine

• ChemBase ID: 739953
• Molecular Formular: C21H25N5O2
• Molecular Mass: 379.4555
• Monoisotopic Mass: 379.20082507
• SMILES: c1(c(C(=O)N2CCN(CC2)c2ccccc2)nccn1)C(=O)N1CCCCC1
• Canonical SMILES: O=C(c1nccnc1C(=O)N1CCCCC1)N1CCN(CC1)c1ccccc1
• InChI: InChI=1S/C21H25N5O2/c27-20(25-11-5-2-6-12-25)18-19(23-10-9-22-18)21(28)26-15-13-24(14-16-26)17-7-3-1-4-8-17/h1,3-4,7-10H,2,5-6,11-16H2
• InChIKey: UNRHIZJTLXXCML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-phenylpiperazine-1-carbonyl)-3-(piperidine-1-carbonyl)pyrazine
• IUPAC Traditional name: 2-(4-phenylpiperazine-1-carbonyl)-3-(piperidine-1-carbonyl)pyrazine
• Synonyms: 2-[(4-phenyl-1-piperazinyl)carbonyl]-3-(1-piperidinylcarbonyl)pyrazine

CALCULATED PROPERTIES

供应商提供(Chembridge)

• LOG S: -3.19
• Polar Surface Area: 69.64 Å^2
• Rotatable Bonds: 3
• H Acceptors: 4
• H Donor: 0
• Log P: -0.1

JChem

• Molar Refractivity: 107.4344 cm^3
• Polarizability: 40.08659 Å^3
• Polar Surface Area: 69.64 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.4905624
• LogD (pH = 7.4): 1.4941465
• Log P: 1.4941924