N-methyl-N-[(3-methylpyridin-4-yl)methyl]-1-[2-(morpholin-4-yl)ethyl]-6-oxopiperidine-3-carboxamide

• ChemBase ID: 443751
• Molecular Formular: C20H30N4O3
• Molecular Mass: 374.4772
• Monoisotopic Mass: 374.23179084
• SMILES: N1(C(=O)CCC(C(=O)N(Cc2c(cncc2)C)C)C1)CCN1CCOCC1
• Canonical SMILES: O=C(N(Cc1ccncc1C)C)C1CCC(=O)N(C1)CCN1CCOCC1
• InChI: InChI=1S/C20H30N4O3/c1-16-13-21-6-5-17(16)14-22(2)20(26)18-3-4-19(25)24(15-18)8-7-23-9-11-27-12-10-23/h5-6,13,18H,3-4,7-12,14-15H2,1-2H3
• InChIKey: TXXGMSSGPFQBAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[(3-methylpyridin-4-yl)methyl]-1-[2-(morpholin-4-yl)ethyl]-6-oxopiperidine-3-carboxamide
• IUPAC Traditional name: N-methyl-N-[(3-methylpyridin-4-yl)methyl]-1-[2-(morpholin-4-yl)ethyl]-6-oxopiperidine-3-carboxamide
• Synonyms: N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-1-[2-(4-morpholinyl)ethyl]-6-oxo-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.2273918
• LogD (pH = 7.4): -0.11194131
• Log P: -0.07193693
• Molar Refractivity: 104.0476 cm^3
• Polarizability: 40.16563 Å^3
• Polar Surface Area: 65.98 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.13
• LOG S: 0.75
• Polar Surface Area: 65.98 Å^2
• Rotatable Bonds: 6