2,2-dimethyl-N-({1-[(2E)-2-methylbut-2-en-1-yl]piperidin-4-yl}methyl)propanamide

• ChemBase ID: 705397
• Molecular Formular: C16H30N2O
• Molecular Mass: 266.4222
• Monoisotopic Mass: 266.23581359
• SMILES: C(=O)(NCC1CCN(C/C(=C/C)/C)CC1)C(C)(C)C
• Canonical SMILES: C/C=C(/CN1CCC(CC1)CNC(=O)C(C)(C)C)\C
• InChI: InChI=1S/C16H30N2O/c1-6-13(2)12-18-9-7-14(8-10-18)11-17-15(19)16(3,4)5/h6,14H,7-12H2,1-5H3,(H,17,19)/b13-6+
• InChIKey: RDPPTFKFVNZHFI-AWNIVKPZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-dimethyl-N-({1-[(2E)-2-methylbut-2-en-1-yl]piperidin-4-yl}methyl)propanamide
• IUPAC Traditional name: 2,2-dimethyl-N-({1-[(2E)-2-methylbut-2-en-1-yl]piperidin-4-yl}methyl)propanamide
• Synonyms: 2,2-dimethyl-N-({1-[(2E)-2-methylbut-2-en-1-yl]piperidin-4-yl}methyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.37014
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.44440436
• LogD (pH = 7.4): 1.0495403
• Log P: 2.841577
• Molar Refractivity: 82.4523 cm^3
• Polarizability: 31.977125 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.83
• LOG S: -3.56
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 5