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

• ChemBase ID: 526002
• Molecular Formular: C20H30N4O3
• Molecular Mass: 374.4772
• Monoisotopic Mass: 374.23179084
• SMILES: N1(C(=O)CCC(C(=O)NCCCc2cnccc2)C1)CCN1CCOCC1
• Canonical SMILES: O=C(C1CCC(=O)N(C1)CCN1CCOCC1)NCCCc1cccnc1
• InChI: InChI=1S/C20H30N4O3/c25-19-6-5-18(16-24(19)10-9-23-11-13-27-14-12-23)20(26)22-8-2-4-17-3-1-7-21-15-17/h1,3,7,15,18H,2,4-6,8-14,16H2,(H,22,26)
• InChIKey: OKIMSJUNIKSJJU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.58148
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.0481154
• LogD (pH = 7.4): -0.11178347
• Log P: -0.07580451
• Molar Refractivity: 103.4657 cm^3
• Polarizability: 40.24306 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