N-(naphthalen-1-yl)-3-[1-(propan-2-yl)-1H-imidazol-2-yl]piperidine-1-carboxamide

• ChemBase ID: 594599
• Molecular Formular: C22H26N4O
• Molecular Mass: 362.46804
• Monoisotopic Mass: 362.21066147
• SMILES: c1(n(ccn1)C(C)C)C1CN(C(=O)Nc2c3c(ccc2)cccc3)CCC1
• Canonical SMILES: O=C(N1CCCC(C1)c1nccn1C(C)C)Nc1cccc2c1cccc2
• InChI: InChI=1S/C22H26N4O/c1-16(2)26-14-12-23-21(26)18-9-6-13-25(15-18)22(27)24-20-11-5-8-17-7-3-4-10-19(17)20/h3-5,7-8,10-12,14,16,18H,6,9,13,15H2,1-2H3,(H,24,27)
• InChIKey: LLDBAUVSRISIKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(naphthalen-1-yl)-3-[1-(propan-2-yl)-1H-imidazol-2-yl]piperidine-1-carboxamide
• IUPAC Traditional name: 3-(1-isopropylimidazol-2-yl)-N-(naphthalen-1-yl)piperidine-1-carboxamide
• Synonyms: 3-(1-isopropyl-1H-imidazol-2-yl)-N-1-naphthyl-1-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.731257
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.08643
• LogD (pH = 7.4): 3.7140913
• Log P: 3.741503
• Molar Refractivity: 108.9431 cm^3
• Polarizability: 42.36334 Å^3
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.21
• LOG S: -4.58
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 3