N-(1H-imidazol-2-ylmethyl)-N-methyl-1-(propan-2-yl)piperidine-4-carboxamide

• ChemBase ID: 592886
• Molecular Formular: C14H24N4O
• Molecular Mass: 264.36656
• Monoisotopic Mass: 264.19501141
• SMILES: C(=O)(N(Cc1ncc[nH]1)C)C1CCN(CC1)C(C)C
• Canonical SMILES: O=C(N(Cc1ncc[nH]1)C)C1CCN(CC1)C(C)C
• InChI: InChI=1S/C14H24N4O/c1-11(2)18-8-4-12(5-9-18)14(19)17(3)10-13-15-6-7-16-13/h6-7,11-12H,4-5,8-10H2,1-3H3,(H,15,16)
• InChIKey: KSVLMTGPRIUHNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1H-imidazol-2-ylmethyl)-N-methyl-1-(propan-2-yl)piperidine-4-carboxamide
• IUPAC Traditional name: N-(1H-imidazol-2-ylmethyl)-1-isopropyl-N-methylpiperidine-4-carboxamide
• Synonyms: N-(1H-imidazol-2-ylmethyl)-1-isopropyl-N-methyl-4-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.607602
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.6094406
• LogD (pH = 7.4): -1.5948645
• Log P: 0.35624215
• Molar Refractivity: 76.0474 cm^3
• Polarizability: 29.403566 Å^3
• Polar Surface Area: 52.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.28
• LOG S: -2.68
• Polar Surface Area: 52.23 Å^2
• Rotatable Bonds: 4