N-methyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]-6-oxo-1-[2-(pyridin-2-yl)ethyl]piperidine-3-carboxamide

• ChemBase ID: 557652
• Molecular Formular: C19H25N5O2
• Molecular Mass: 355.4341
• Monoisotopic Mass: 355.20082507
• SMILES: c1(n(ccn1)C)CN(C(=O)C1CN(C(=O)CC1)CCc1ncccc1)C
• Canonical SMILES: O=C(N(Cc1nccn1C)C)C1CCC(=O)N(C1)CCc1ccccn1
• InChI: InChI=1S/C19H25N5O2/c1-22-12-10-21-17(22)14-23(2)19(26)15-6-7-18(25)24(13-15)11-8-16-5-3-4-9-20-16/h3-5,9-10,12,15H,6-8,11,13-14H2,1-2H3
• InChIKey: GWAQOUXOGUHFMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]-6-oxo-1-[2-(pyridin-2-yl)ethyl]piperidine-3-carboxamide
• IUPAC Traditional name: N-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-oxo-1-[2-(pyridin-2-yl)ethyl]piperidine-3-carboxamide
• Synonyms: N-methyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]-6-oxo-1-[2-(2-pyridinyl)ethyl]-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.7570096
• LogD (pH = 7.4): -0.1824377
• Log P: -0.16417214
• Molar Refractivity: 97.8811 cm^3
• Polarizability: 37.71444 Å^3
• Polar Surface Area: 71.33 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.64
• LOG S: -1.25
• Polar Surface Area: 71.33 Å^2
• Rotatable Bonds: 6