1-[2-(morpholin-4-yl)ethyl]-6-oxo-N-[3-(pyridin-4-yl)propyl]piperidine-3-carboxamide

• ChemBase ID: 689205
• Molecular Formular: C20H30N4O3
• Molecular Mass: 374.4772
• Monoisotopic Mass: 374.23179084
• SMILES: N1(C(=O)CCC(C(=O)NCCCc2ccncc2)C1)CCN1CCOCC1
• Canonical SMILES: O=C(C1CCC(=O)N(C1)CCN1CCOCC1)NCCCc1ccncc1
• InChI: InChI=1S/C20H30N4O3/c25-19-4-3-18(16-24(19)11-10-23-12-14-27-15-13-23)20(26)22-7-1-2-17-5-8-21-9-6-17/h5-6,8-9,18H,1-4,7,10-16H2,(H,22,26)
• InChIKey: WPJLMRZHCLOLSP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.580451
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.0723598
• LogD (pH = 7.4): -0.1121957
• Log P: -0.07580451
• Molar Refractivity: 103.4657 cm^3
• Polarizability: 40.242916 Å^3
• Polar Surface Area: 74.77 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.05
• LOG S: -1.01
• Polar Surface Area: 74.77 Å^2
• Rotatable Bonds: 8