N-benzyl-2-{3-[1-(carbamoylmethyl)-1H-imidazol-2-yl]piperidin-1-yl}acetamide

• ChemBase ID: 572134
• Molecular Formular: C19H25N5O2
• Molecular Mass: 355.4341
• Monoisotopic Mass: 355.20082507
• SMILES: c1(n(CC(=O)N)ccn1)C1CN(CC(=O)NCc2ccccc2)CCC1
• Canonical SMILES: O=C(CN1CCCC(C1)c1nccn1CC(=O)N)NCc1ccccc1
• InChI: InChI=1S/C19H25N5O2/c20-17(25)13-24-10-8-21-19(24)16-7-4-9-23(12-16)14-18(26)22-11-15-5-2-1-3-6-15/h1-3,5-6,8,10,16H,4,7,9,11-14H2,(H2,20,25)(H,22,26)
• InChIKey: NSGFOKLRKKYEJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-2-{3-[1-(carbamoylmethyl)-1H-imidazol-2-yl]piperidin-1-yl}acetamide
• IUPAC Traditional name: N-benzyl-2-{3-[1-(carbamoylmethyl)imidazol-2-yl]piperidin-1-yl}acetamide
• Synonyms: 2-{3-[1-(2-amino-2-oxoethyl)-1H-imidazol-2-yl]-1-piperidinyl}-N-benzylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.087757
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.2479584
• LogD (pH = 7.4): -0.19609499
• Log P: 0.13428044
• Molar Refractivity: 99.2454 cm^3
• Polarizability: 38.290096 Å^3
• Polar Surface Area: 93.25 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.28
• LOG S: -3.34
• Polar Surface Area: 93.25 Å^2
• Rotatable Bonds: 7