N-cyclopropyl-1-methyl-N-[(2E)-3-phenylprop-2-en-1-yl]piperidine-2-carboxamide

• ChemBase ID: 733750
• Molecular Formular: C19H26N2O
• Molecular Mass: 298.42254
• Monoisotopic Mass: 298.20451346
• SMILES: C(=O)(N(C1CC1)C/C=C/c1ccccc1)C1N(C)CCCC1
• Canonical SMILES: CN1CCCCC1C(=O)N(C1CC1)C/C=C/c1ccccc1
• InChI: InChI=1S/C19H26N2O/c1-20-14-6-5-11-18(20)19(22)21(17-12-13-17)15-7-10-16-8-3-2-4-9-16/h2-4,7-10,17-18H,5-6,11-15H2,1H3/b10-7+
• InChIKey: OMQHEEQZFGCJFO-JXMROGBWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-1-methyl-N-[(2E)-3-phenylprop-2-en-1-yl]piperidine-2-carboxamide
• IUPAC Traditional name: N-cyclopropyl-1-methyl-N-[(2E)-3-phenylprop-2-en-1-yl]piperidine-2-carboxamide
• Synonyms: N-cyclopropyl-1-methyl-N-[(2E)-3-phenylprop-2-en-1-yl]piperidine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.6817282
• LogD (pH = 7.4): 2.448248
• Log P: 3.170838
• Molar Refractivity: 91.718 cm^3
• Polarizability: 35.403378 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.72
• LOG S: -3.7
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 5