2-{4-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl}pyrazine

• ChemBase ID: 671071
• Molecular Formular: C16H21N5O2
• Molecular Mass: 315.37024
• Monoisotopic Mass: 315.16952494
• SMILES: c1(n(ccn1)CCOC)C1CCN(C(=O)c2nccnc2)CC1
• Canonical SMILES: COCCn1ccnc1C1CCN(CC1)C(=O)c1cnccn1
• InChI: InChI=1S/C16H21N5O2/c1-23-11-10-20-9-6-19-15(20)13-2-7-21(8-3-13)16(22)14-12-17-4-5-18-14/h4-6,9,12-13H,2-3,7-8,10-11H2,1H3
• InChIKey: BACKFNXQZMFBSS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{4-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl}pyrazine
• IUPAC Traditional name: 2-{4-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl}pyrazine
• Synonyms: 2-({4-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-piperidinyl}carbonyl)pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.99967337
• LogD (pH = 7.4): -0.35675824
• Log P: -0.32725886
• Molar Refractivity: 85.3759 cm^3
• Polarizability: 32.436005 Å^3
• Polar Surface Area: 73.14 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.97
• LOG S: -1.98
• Polar Surface Area: 73.14 Å^2
• Rotatable Bonds: 5