5-(4-{1-[2-(dimethylamino)ethyl]-1H-imidazol-2-yl}piperidine-1-carbonyl)-1-methyl-1,2-dihydropyridin-2-one

• ChemBase ID: 691359
• Molecular Formular: C19H27N5O2
• Molecular Mass: 357.44998
• Monoisotopic Mass: 357.21647513
• SMILES: c1(C(=O)N2CCC(c3n(ccn3)CCN(C)C)CC2)cn(c(=O)cc1)C
• Canonical SMILES: CN(CCn1ccnc1C1CCN(CC1)C(=O)c1ccc(=O)n(c1)C)C
• InChI: InChI=1S/C19H27N5O2/c1-21(2)12-13-23-11-8-20-18(23)15-6-9-24(10-7-15)19(26)16-4-5-17(25)22(3)14-16/h4-5,8,11,14-15H,6-7,9-10,12-13H2,1-3H3
• InChIKey: MVUMFWKPCLZDTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(4-{1-[2-(dimethylamino)ethyl]-1H-imidazol-2-yl}piperidine-1-carbonyl)-1-methyl-1,2-dihydropyridin-2-one
• IUPAC Traditional name: 5-(4-{1-[2-(dimethylamino)ethyl]imidazol-2-yl}piperidine-1-carbonyl)-1-methylpyridin-2-one
• Synonyms: 5-[(4-{1-[2-(dimethylamino)ethyl]-1H-imidazol-2-yl}-1-piperidinyl)carbonyl]-1-methyl-2(1H)-pyridinone

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -3.6635184
• LogD (pH = 7.4): -1.6985829
• Log P: -0.16738117
• Molar Refractivity: 102.6643 cm^3
• Polarizability: 38.536514 Å^3
• Polar Surface Area: 61.68 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.83
• LOG S: -2.41
• Polar Surface Area: 63.37 Å^2
• Rotatable Bonds: 5