1-(2-methoxyethyl)-N-[1-(3-methylphenyl)cyclopropyl]piperidine-4-carboxamide

• ChemBase ID: 843381
• Molecular Formular: C19H28N2O2
• Molecular Mass: 316.43782
• Monoisotopic Mass: 316.21507815
• SMILES: C1(NC(=O)C2CCN(CC2)CCOC)(CC1)c1cc(ccc1)C
• Canonical SMILES: COCCN1CCC(CC1)C(=O)NC1(CC1)c1cccc(c1)C
• InChI: InChI=1S/C19H28N2O2/c1-15-4-3-5-17(14-15)19(8-9-19)20-18(22)16-6-10-21(11-7-16)12-13-23-2/h3-5,14,16H,6-13H2,1-2H3,(H,20,22)
• InChIKey: QPSJADPQTVOGJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methoxyethyl)-N-[1-(3-methylphenyl)cyclopropyl]piperidine-4-carboxamide
• IUPAC Traditional name: 1-(2-methoxyethyl)-N-[1-(3-methylphenyl)cyclopropyl]piperidine-4-carboxamide
• Synonyms: 1-(2-methoxyethyl)-N-[1-(3-methylphenyl)cyclopropyl]piperidine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.221934
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.8276409
• LogD (pH = 7.4): 0.8473692
• Log P: 2.2602658
• Molar Refractivity: 92.887 cm^3
• Polarizability: 36.15857 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.56
• LOG S: -3.69
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 6