2-methoxy-N-(3-{[(piperidin-4-ylmethyl)carbamoyl]amino}phenyl)acetamide

• ChemBase ID: 434899
• Molecular Formular: C16H24N4O3
• Molecular Mass: 320.38676
• Monoisotopic Mass: 320.18484065
• SMILES: C(=O)(Nc1cc(NC(=O)COC)ccc1)NCC1CCNCC1
• Canonical SMILES: COCC(=O)Nc1cccc(c1)NC(=O)NCC1CCNCC1
• InChI: InChI=1S/C16H24N4O3/c1-23-11-15(21)19-13-3-2-4-14(9-13)20-16(22)18-10-12-5-7-17-8-6-12/h2-4,9,12,17H,5-8,10-11H2,1H3,(H,19,21)(H2,18,20,22)
• InChIKey: NSYWEXICVTZBKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-N-(3-{[(piperidin-4-ylmethyl)carbamoyl]amino}phenyl)acetamide
• IUPAC Traditional name: 2-methoxy-N-(3-{[(piperidin-4-ylmethyl)carbamoyl]amino}phenyl)acetamide
• Synonyms: 2-methoxy-N-[3-({[(piperidin-4-ylmethyl)amino]carbonyl}amino)phenyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.661756
• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): -2.9522297
• LogD (pH = 7.4): -2.2845523
• Log P: 0.26903448
• Molar Refractivity: 90.7852 cm^3
• Polarizability: 33.78231 Å^3
• Polar Surface Area: 91.49 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 4
• Log P: 0.84
• LOG S: -2.25
• Polar Surface Area: 91.49 Å^2
• Rotatable Bonds: 6