1-acetyl-N-[2-(3-propoxyphenyl)ethyl]piperidine-3-carboxamide

• ChemBase ID: 419643
• Molecular Formular: C19H28N2O3
• Molecular Mass: 332.43722
• Monoisotopic Mass: 332.20999277
• SMILES: N1(C(=O)C)CC(C(=O)NCCc2cc(OCCC)ccc2)CCC1
• Canonical SMILES: CCCOc1cccc(c1)CCNC(=O)C1CCCN(C1)C(=O)C
• InChI: InChI=1S/C19H28N2O3/c1-3-12-24-18-8-4-6-16(13-18)9-10-20-19(23)17-7-5-11-21(14-17)15(2)22/h4,6,8,13,17H,3,5,7,9-12,14H2,1-2H3,(H,20,23)
• InChIKey: YFWBREQNMRDSQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-acetyl-N-[2-(3-propoxyphenyl)ethyl]piperidine-3-carboxamide
• IUPAC Traditional name: 1-acetyl-N-[2-(3-propoxyphenyl)ethyl]piperidine-3-carboxamide
• Synonyms: 1-acetyl-N-[2-(3-propoxyphenyl)ethyl]-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.74629
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.7976086
• LogD (pH = 7.4): 1.7976087
• Log P: 1.7976087
• Molar Refractivity: 94.3095 cm^3
• Polarizability: 36.63191 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.15
• LOG S: -3.46
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 7