4-(4-chlorophenoxy)-N-[1-(pyrazin-2-yl)propan-2-yl]piperidine-4-carboxamide

• ChemBase ID: 498424
• Molecular Formular: C19H23ClN4O2
• Molecular Mass: 374.86452
• Monoisotopic Mass: 374.15095368
• SMILES: C(=O)(C1(Oc2ccc(Cl)cc2)CCNCC1)NC(Cc1nccnc1)C
• Canonical SMILES: CC(NC(=O)C1(CCNCC1)Oc1ccc(cc1)Cl)Cc1cnccn1
• InChI: InChI=1S/C19H23ClN4O2/c1-14(12-16-13-22-10-11-23-16)24-18(25)19(6-8-21-9-7-19)26-17-4-2-15(20)3-5-17/h2-5,10-11,13-14,21H,6-9,12H2,1H3,(H,24,25)
• InChIKey: SRIOMAMQPASHCY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-chlorophenoxy)-N-[1-(pyrazin-2-yl)propan-2-yl]piperidine-4-carboxamide
• IUPAC Traditional name: 4-(4-chlorophenoxy)-N-[1-(pyrazin-2-yl)propan-2-yl]piperidine-4-carboxamide
• Synonyms: 4-(4-chlorophenoxy)-N-(1-methyl-2-pyrazin-2-ylethyl)piperidine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.926837
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -1.9767348
• LogD (pH = 7.4): -0.9659654
• Log P: 1.2104292
• Molar Refractivity: 99.2205 cm^3
• Polarizability: 39.25721 Å^3
• Polar Surface Area: 76.14 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.14
• LOG S: -2.91
• Polar Surface Area: 76.14 Å^2
• Rotatable Bonds: 6