N-methyl-N-[2-(oxan-4-yl)ethyl]-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide

• ChemBase ID: 678242
• Molecular Formular: C20H29N3O3
• Molecular Mass: 359.46256
• Monoisotopic Mass: 359.2208918
• SMILES: N1(C(=O)CCC(C(=O)N(CCC2CCOCC2)C)C1)Cc1ncccc1
• Canonical SMILES: O=C(C1CCC(=O)N(C1)Cc1ccccn1)N(CCC1CCOCC1)C
• InChI: InChI=1S/C20H29N3O3/c1-22(11-7-16-8-12-26-13-9-16)20(25)17-5-6-19(24)23(14-17)15-18-4-2-3-10-21-18/h2-4,10,16-17H,5-9,11-15H2,1H3
• InChIKey: PFPIYVYIXXNWTO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[2-(oxan-4-yl)ethyl]-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
• IUPAC Traditional name: N-methyl-N-[2-(oxan-4-yl)ethyl]-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
• Synonyms: N-methyl-6-oxo-1-(2-pyridinylmethyl)-N-[2-(tetrahydro-2H-pyran-4-yl)ethyl]-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.46668467
• LogD (pH = 7.4): 0.48414373
• Log P: 0.48437127
• Molar Refractivity: 99.3621 cm^3
• Polarizability: 38.71303 Å^3
• Polar Surface Area: 62.74 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: 0.18
• LOG S: -1.29
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 6