N-(3-carbamoyl-4-methoxyphenyl)-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide

• ChemBase ID: 749956
• Molecular Formular: C19H28N4O4
• Molecular Mass: 376.45002
• Monoisotopic Mass: 376.2110554
• SMILES: C(=O)(N1C(CN2CCOCC2)CCCC1)Nc1cc(C(=O)N)c(cc1)OC
• Canonical SMILES: COc1ccc(cc1C(=O)N)NC(=O)N1CCCCC1CN1CCOCC1
• InChI: InChI=1S/C19H28N4O4/c1-26-17-6-5-14(12-16(17)18(20)24)21-19(25)23-7-3-2-4-15(23)13-22-8-10-27-11-9-22/h5-6,12,15H,2-4,7-11,13H2,1H3,(H2,20,24)(H,21,25)
• InChIKey: AMQRWNHTFVPHDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-carbamoyl-4-methoxyphenyl)-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide
• IUPAC Traditional name: N-(3-carbamoyl-4-methoxyphenyl)-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide
• Synonyms: N-[3-(aminocarbonyl)-4-methoxyphenyl]-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.163999
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.58486897
• LogD (pH = 7.4): 0.6319106
• Log P: 0.7280091
• Molar Refractivity: 103.8385 cm^3
• Polarizability: 39.071766 Å^3
• Polar Surface Area: 97.13 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.19
• LOG S: -3.42
• Polar Surface Area: 97.13 Å^2
• Rotatable Bonds: 5