N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]pyrazine-2-carboxamide

• ChemBase ID: 633527
• Molecular Formular: C19H24N4O
• Molecular Mass: 324.42006
• Monoisotopic Mass: 324.19501141
• SMILES: C(=O)(N(C1CN(CCc2ccccc2)CCC1)C)c1nccnc1
• Canonical SMILES: CN(C(=O)c1cnccn1)C1CCCN(C1)CCc1ccccc1
• InChI: InChI=1S/C19H24N4O/c1-22(19(24)18-14-20-10-11-21-18)17-8-5-12-23(15-17)13-9-16-6-3-2-4-7-16/h2-4,6-7,10-11,14,17H,5,8-9,12-13,15H2,1H3
• InChIKey: IKCILZNBBHEZGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]pyrazine-2-carboxamide
• IUPAC Traditional name: N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]pyrazine-2-carboxamide
• Synonyms: N-methyl-N-[1-(2-phenylethyl)-3-piperidinyl]-2-pyrazinecarboxamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Log P: 1.73
• LOG S: -2.08
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 5
• H Acceptors: 4
• H Donor: 0

JChem

• Molar Refractivity: 94.8419 cm^3
• Polarizability: 36.42422 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.98576516
• LogD (pH = 7.4): 0.7867067
• Log P: 1.7190871