N-(3-chloro-4-propoxyphenyl)-4-(morpholin-4-yl)piperidine-1-carboxamide

• ChemBase ID: 700859
• Molecular Formular: C19H28ClN3O3
• Molecular Mass: 381.89692
• Monoisotopic Mass: 381.18191945
• SMILES: C(=O)(N1CCC(N2CCOCC2)CC1)Nc1cc(c(cc1)OCCC)Cl
• Canonical SMILES: CCCOc1ccc(cc1Cl)NC(=O)N1CCC(CC1)N1CCOCC1
• InChI: InChI=1S/C19H28ClN3O3/c1-2-11-26-18-4-3-15(14-17(18)20)21-19(24)23-7-5-16(6-8-23)22-9-12-25-13-10-22/h3-4,14,16H,2,5-13H2,1H3,(H,21,24)
• InChIKey: AREVYWWCDXSGGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-chloro-4-propoxyphenyl)-4-(morpholin-4-yl)piperidine-1-carboxamide
• IUPAC Traditional name: N-(3-chloro-4-propoxyphenyl)-4-(morpholin-4-yl)piperidine-1-carboxamide
• Synonyms: N-(3-chloro-4-propoxyphenyl)-4-morpholin-4-ylpiperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.686271
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.58043426
• LogD (pH = 7.4): 2.1662793
• Log P: 2.4587722
• Molar Refractivity: 104.4573 cm^3
• Polarizability: 39.950558 Å^3
• Polar Surface Area: 54.04 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.73
• LOG S: -4.32
• Polar Surface Area: 54.04 Å^2
• Rotatable Bonds: 5