N-ethyl-4-[2-(2-phenyl-1H-imidazol-1-yl)acetamido]piperidine-1-carboxamide

• ChemBase ID: 697101
• Molecular Formular: C19H25N5O2
• Molecular Mass: 355.4341
• Monoisotopic Mass: 355.20082507
• SMILES: n1(c(ncc1)c1ccccc1)CC(=O)NC1CCN(C(=O)NCC)CC1
• Canonical SMILES: CCNC(=O)N1CCC(CC1)NC(=O)Cn1ccnc1c1ccccc1
• InChI: InChI=1S/C19H25N5O2/c1-2-20-19(26)23-11-8-16(9-12-23)22-17(25)14-24-13-10-21-18(24)15-6-4-3-5-7-15/h3-7,10,13,16H,2,8-9,11-12,14H2,1H3,(H,20,26)(H,22,25)
• InChIKey: GBDBMGKBFXUCCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-4-[2-(2-phenyl-1H-imidazol-1-yl)acetamido]piperidine-1-carboxamide
• IUPAC Traditional name: N-ethyl-4-[2-(2-phenylimidazol-1-yl)acetamido]piperidine-1-carboxamide
• Synonyms: N-ethyl-4-{[(2-phenyl-1H-imidazol-1-yl)acetyl]amino}piperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.082232
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.06380998
• LogD (pH = 7.4): 0.47989157
• Log P: 0.49857783
• Molar Refractivity: 109.8589 cm^3
• Polarizability: 38.6465 Å^3
• Polar Surface Area: 79.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.97
• LOG S: -2.62
• Polar Surface Area: 79.26 Å^2
• Rotatable Bonds: 5