2-(2-phenyl-1H-imidazol-1-yl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]acetamide

• ChemBase ID: 785307
• Molecular Formular: C22H25N5O
• Molecular Mass: 375.4668
• Monoisotopic Mass: 375.20591045
• SMILES: n1(c(ncc1)c1ccccc1)CC(=O)NC1CCN(Cc2cnccc2)CC1
• Canonical SMILES: O=C(Cn1ccnc1c1ccccc1)NC1CCN(CC1)Cc1cccnc1
• InChI: InChI=1S/C22H25N5O/c28-21(17-27-14-11-24-22(27)19-6-2-1-3-7-19)25-20-8-12-26(13-9-20)16-18-5-4-10-23-15-18/h1-7,10-11,14-15,20H,8-9,12-13,16-17H2,(H,25,28)
• InChIKey: CXUIKGRXELZPBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-phenyl-1H-imidazol-1-yl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]acetamide
• IUPAC Traditional name: 2-(2-phenylimidazol-1-yl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]acetamide
• Synonyms: 2-(2-phenyl-1H-imidazol-1-yl)-N-[1-(3-pyridinylmethyl)-4-piperidinyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.227684
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.4514877
• LogD (pH = 7.4): 0.850457
• Log P: 1.5315456
• Molar Refractivity: 119.7214 cm^3
• Polarizability: 42.84938 Å^3
• Polar Surface Area: 63.05 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.91
• LOG S: -1.42
• Polar Surface Area: 63.05 Å^2
• Rotatable Bonds: 6