N-cyclopropyl-2-[methyl(piperidin-4-yl)amino]-N-[(2E)-3-phenylprop-2-en-1-yl]acetamide

• ChemBase ID: 743842
• Molecular Formular: C20H29N3O
• Molecular Mass: 327.46376
• Monoisotopic Mass: 327.23106256
• SMILES: C(=O)(N(C1CC1)C/C=C/c1ccccc1)CN(C1CCNCC1)C
• Canonical SMILES: CN(C1CCNCC1)CC(=O)N(C1CC1)C/C=C/c1ccccc1
• InChI: InChI=1S/C20H29N3O/c1-22(18-11-13-21-14-12-18)16-20(24)23(19-9-10-19)15-5-8-17-6-3-2-4-7-17/h2-8,18-19,21H,9-16H2,1H3/b8-5+
• InChIKey: PTHGAECCGFOZPB-VMPITWQZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-2-[methyl(piperidin-4-yl)amino]-N-[(2E)-3-phenylprop-2-en-1-yl]acetamide
• IUPAC Traditional name: N-cyclopropyl-2-[methyl(piperidin-4-yl)amino]-N-[(2E)-3-phenylprop-2-en-1-yl]acetamide
• Synonyms: N~1~-cyclopropyl-N~2~-methyl-N~1~-[(2E)-3-phenylprop-2-en-1-yl]-N~2~-piperidin-4-ylglycinamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.6001685
• LogD (pH = 7.4): -1.0046537
• Log P: 1.7522738
• Molar Refractivity: 99.9871 cm^3
• Polarizability: 38.77136 Å^3
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.26
• LOG S: -3.52
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 7