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

• ChemBase ID: 448017
• Molecular Formular: C19H30N4O3
• Molecular Mass: 362.4665
• Monoisotopic Mass: 362.23179084
• SMILES: c1(n(ccn1)CCOC)C1CCN(C(=O)C2CCN(C(=O)C)CC2)CC1
• Canonical SMILES: COCCn1ccnc1C1CCN(CC1)C(=O)C1CCN(CC1)C(=O)C
• InChI: InChI=1S/C19H30N4O3/c1-15(24)21-8-5-17(6-9-21)19(25)23-10-3-16(4-11-23)18-20-7-12-22(18)13-14-26-2/h7,12,16-17H,3-6,8-11,13-14H2,1-2H3
• InChIKey: RYPLTEDAGNSVOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-{4-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl}piperidin-1-yl)ethan-1-one
• IUPAC Traditional name: 1-(4-{4-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl}piperidin-1-yl)ethanone
• Synonyms: 1-acetyl-4-({4-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-piperidinyl}carbonyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.0908337
• LogD (pH = 7.4): -0.447918
• Log P: -0.4184186
• Molar Refractivity: 99.3887 cm^3
• Polarizability: 38.20955 Å^3
• Polar Surface Area: 67.67 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.12
• LOG S: -3.05
• Polar Surface Area: 67.67 Å^2
• Rotatable Bonds: 5