N-(2-methoxyethyl)-1-[1-(pyrazine-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide

• ChemBase ID: 430977
• Molecular Formular: C19H29N5O3
• Molecular Mass: 375.46526
• Monoisotopic Mass: 375.22703981
• SMILES: C(=O)(N1CCC(N2CC(C(=O)NCCOC)CCC2)CC1)c1nccnc1
• Canonical SMILES: COCCNC(=O)C1CCCN(C1)C1CCN(CC1)C(=O)c1cnccn1
• InChI: InChI=1S/C19H29N5O3/c1-27-12-8-22-18(25)15-3-2-9-24(14-15)16-4-10-23(11-5-16)19(26)17-13-20-6-7-21-17/h6-7,13,15-16H,2-5,8-12,14H2,1H3,(H,22,25)
• InChIKey: BGSBHIPXOZNBGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-1-[1-(pyrazine-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
• IUPAC Traditional name: N-(2-methoxyethyl)-1-[1-(pyrazine-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
• Synonyms: N-(2-methoxyethyl)-1'-(pyrazin-2-ylcarbonyl)-1,4'-bipiperidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.533959
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -4.5147634
• LogD (pH = 7.4): -3.1660647
• Log P: -1.1526741
• Molar Refractivity: 101.6854 cm^3
• Polarizability: 39.168476 Å^3
• Polar Surface Area: 87.66 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: -1.11
• LOG S: -2.3
• Polar Surface Area: 87.66 Å^2
• Rotatable Bonds: 6