N-[1-(3-phenylpropyl)piperidin-3-yl]-3-(pyrazin-2-yl)propanamide

• ChemBase ID: 604085
• Molecular Formular: C21H28N4O
• Molecular Mass: 352.47322
• Monoisotopic Mass: 352.22631154
• SMILES: N1(CC(NC(=O)CCc2nccnc2)CCC1)CCCc1ccccc1
• Canonical SMILES: O=C(NC1CCCN(C1)CCCc1ccccc1)CCc1nccnc1
• InChI: InChI=1S/C21H28N4O/c26-21(11-10-19-16-22-12-13-23-19)24-20-9-5-15-25(17-20)14-4-8-18-6-2-1-3-7-18/h1-3,6-7,12-13,16,20H,4-5,8-11,14-15,17H2,(H,24,26)
• InChIKey: QNOUFGVBIGJDQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(3-phenylpropyl)piperidin-3-yl]-3-(pyrazin-2-yl)propanamide
• IUPAC Traditional name: N-[1-(3-phenylpropyl)piperidin-3-yl]-3-(pyrazin-2-yl)propanamide
• Synonyms: N-[1-(3-phenylpropyl)-3-piperidinyl]-3-(2-pyrazinyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.444242
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.1490457
• LogD (pH = 7.4): 0.56573856
• Log P: 1.8527794
• Molar Refractivity: 103.1468 cm^3
• Polarizability: 40.321712 Å^3
• Polar Surface Area: 58.12 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.1
• LOG S: -3.56
• Polar Surface Area: 58.12 Å^2
• Rotatable Bonds: 8