N-methyl-3-(4-methyl-1H-pyrazol-1-yl)-N-{[1-(piperidin-1-yl)cyclohexyl]methyl}propanamide

• ChemBase ID: 599062
• Molecular Formular: C20H34N4O
• Molecular Mass: 346.51016
• Monoisotopic Mass: 346.27326173
• SMILES: n1n(cc(c1)C)CCC(=O)N(CC1(N2CCCCC2)CCCCC1)C
• Canonical SMILES: Cc1cnn(c1)CCC(=O)N(CC1(CCCCC1)N1CCCCC1)C
• InChI: InChI=1S/C20H34N4O/c1-18-15-21-24(16-18)14-9-19(25)22(2)17-20(10-5-3-6-11-20)23-12-7-4-8-13-23/h15-16H,3-14,17H2,1-2H3
• InChIKey: RNYJEQCZDJJVOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-3-(4-methyl-1H-pyrazol-1-yl)-N-{[1-(piperidin-1-yl)cyclohexyl]methyl}propanamide
• IUPAC Traditional name: N-methyl-3-(4-methylpyrazol-1-yl)-N-{[1-(piperidin-1-yl)cyclohexyl]methyl}propanamide
• Synonyms: N-methyl-3-(4-methyl-1H-pyrazol-1-yl)-N-{[1-(1-piperidinyl)cyclohexyl]methyl}propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.5760451
• LogD (pH = 7.4): 0.48948178
• Log P: 2.8619828
• Molar Refractivity: 113.4671 cm^3
• Polarizability: 39.642452 Å^3
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.08
• LOG S: -4.36
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 6