1-(1-benzylpiperidine-2-carbonyl)-4-[1-(propan-2-yl)-1H-imidazol-2-yl]piperidine

• ChemBase ID: 525385
• Molecular Formular: C24H34N4O
• Molecular Mass: 394.55296
• Monoisotopic Mass: 394.27326173
• SMILES: c1(n(ccn1)C(C)C)C1CCN(C(=O)C2N(Cc3ccccc3)CCCC2)CC1
• Canonical SMILES: O=C(C1CCCCN1Cc1ccccc1)N1CCC(CC1)c1nccn1C(C)C
• InChI: InChI=1S/C24H34N4O/c1-19(2)28-17-13-25-23(28)21-11-15-26(16-12-21)24(29)22-10-6-7-14-27(22)18-20-8-4-3-5-9-20/h3-5,8-9,13,17,19,21-22H,6-7,10-12,14-16,18H2,1-2H3
• InChIKey: MGQNUODKAKYTGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-benzylpiperidine-2-carbonyl)-4-[1-(propan-2-yl)-1H-imidazol-2-yl]piperidine
• IUPAC Traditional name: 1-(1-benzylpiperidine-2-carbonyl)-4-(1-isopropylimidazol-2-yl)piperidine
• Synonyms: 1-benzyl-2-{[4-(1-isopropyl-1H-imidazol-2-yl)piperidin-1-yl]carbonyl}piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.18668903
• LogD (pH = 7.4): 2.5951319
• Log P: 3.3667138
• Molar Refractivity: 117.444 cm^3
• Polarizability: 45.562466 Å^3
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.95
• LOG S: -4.6
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 5