N-methyl-3-(2-oxo-1,2-dihydropyridin-1-yl)-N-{[1-(piperidin-1-yl)cyclohexyl]methyl}propanamide

• ChemBase ID: 854051
• Molecular Formular: C21H33N3O2
• Molecular Mass: 359.50562
• Monoisotopic Mass: 359.25727731
• SMILES: n1(c(=O)cccc1)CCC(=O)N(CC1(N2CCCCC2)CCCCC1)C
• Canonical SMILES: O=C(N(CC1(CCCCC1)N1CCCCC1)C)CCn1ccccc1=O
• InChI: InChI=1S/C21H33N3O2/c1-22(19(25)11-17-23-14-9-4-10-20(23)26)18-21(12-5-2-6-13-21)24-15-7-3-8-16-24/h4,9-10,14H,2-3,5-8,11-13,15-18H2,1H3
• InChIKey: SEFWGNZSCCYTCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-3-(2-oxo-1,2-dihydropyridin-1-yl)-N-{[1-(piperidin-1-yl)cyclohexyl]methyl}propanamide
• IUPAC Traditional name: N-methyl-3-(2-oxopyridin-1-yl)-N-{[1-(piperidin-1-yl)cyclohexyl]methyl}propanamide
• Synonyms: N-methyl-3-(2-oxo-1(2H)-pyridinyl)-N-{[1-(1-piperidinyl)cyclohexyl]methyl}propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.2499114
• LogD (pH = 7.4): -0.18450601
• Log P: 2.1879935
• Molar Refractivity: 106.4065 cm^3
• Polarizability: 40.680706 Å^3
• Polar Surface Area: 43.86 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: 2.27
• LOG S: -3.76
• Polar Surface Area: 45.55 Å^2
• Rotatable Bonds: 6