N-[1-(2-methylphenyl)cyclopropyl]-3-(1-methylpiperidin-2-yl)propanamide

• ChemBase ID: 570921
• Molecular Formular: C19H28N2O
• Molecular Mass: 300.43842
• Monoisotopic Mass: 300.22016353
• SMILES: C1(NC(=O)CCC2N(C)CCCC2)(CC1)c1c(C)cccc1
• Canonical SMILES: O=C(NC1(CC1)c1ccccc1C)CCC1CCCCN1C
• InChI: InChI=1S/C19H28N2O/c1-15-7-3-4-9-17(15)19(12-13-19)20-18(22)11-10-16-8-5-6-14-21(16)2/h3-4,7,9,16H,5-6,8,10-14H2,1-2H3,(H,20,22)
• InChIKey: CMTFTLXZMWQLPD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(2-methylphenyl)cyclopropyl]-3-(1-methylpiperidin-2-yl)propanamide
• IUPAC Traditional name: N-[1-(2-methylphenyl)cyclopropyl]-3-(1-methylpiperidin-2-yl)propanamide
• Synonyms: N-[1-(2-methylphenyl)cyclopropyl]-3-(1-methyl-2-piperidinyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.477546
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.23978087
• LogD (pH = 7.4): 1.0373807
• Log P: 3.147921
• Molar Refractivity: 90.8128 cm^3
• Polarizability: 35.481983 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: 3.58
• LOG S: -4.45
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 5