N-benzyl-2-{4-[1-(carbamoylmethyl)-1H-imidazol-2-yl]piperidin-1-yl}acetamide

• ChemBase ID: 570687
• Molecular Formular: C19H25N5O2
• Molecular Mass: 355.4341
• Monoisotopic Mass: 355.20082507
• SMILES: n1(c(ncc1)C1CCN(CC(=O)NCc2ccccc2)CC1)CC(=O)N
• Canonical SMILES: O=C(CN1CCC(CC1)c1nccn1CC(=O)N)NCc1ccccc1
• InChI: InChI=1S/C19H25N5O2/c20-17(25)13-24-11-8-21-19(24)16-6-9-23(10-7-16)14-18(26)22-12-15-4-2-1-3-5-15/h1-5,8,11,16H,6-7,9-10,12-14H2,(H2,20,25)(H,22,26)
• InChIKey: YLBJDGDHGBKYKL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-2-{4-[1-(carbamoylmethyl)-1H-imidazol-2-yl]piperidin-1-yl}acetamide
• IUPAC Traditional name: N-benzyl-2-{4-[1-(carbamoylmethyl)imidazol-2-yl]piperidin-1-yl}acetamide
• Synonyms: 2-{4-[1-(2-amino-2-oxoethyl)-1H-imidazol-2-yl]-1-piperidinyl}-N-benzylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.258761
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.6682432
• LogD (pH = 7.4): -0.3815184
• Log P: -0.021627013
• Molar Refractivity: 99.3994 cm^3
• Polarizability: 38.290466 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: 0.06
• LOG S: -3.15
• Polar Surface Area: 93.25 Å^2
• Rotatable Bonds: 7