N-[4-chloro-3-(3-propoxypiperidine-1-carbonyl)phenyl]acetamide

• ChemBase ID: 403334
• Molecular Formular: C17H23ClN2O3
• Molecular Mass: 338.82912
• Monoisotopic Mass: 338.13972029
• SMILES: C(=O)(c1c(ccc(c1)NC(=O)C)Cl)N1CC(OCCC)CCC1
• Canonical SMILES: CCCOC1CCCN(C1)C(=O)c1cc(ccc1Cl)NC(=O)C
• InChI: InChI=1S/C17H23ClN2O3/c1-3-9-23-14-5-4-8-20(11-14)17(22)15-10-13(19-12(2)21)6-7-16(15)18/h6-7,10,14H,3-5,8-9,11H2,1-2H3,(H,19,21)
• InChIKey: PCTQMHXGBJXPOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-chloro-3-(3-propoxypiperidine-1-carbonyl)phenyl]acetamide
• IUPAC Traditional name: N-[4-chloro-3-(3-propoxypiperidine-1-carbonyl)phenyl]acetamide
• Synonyms: N-{4-chloro-3-[(3-propoxypiperidin-1-yl)carbonyl]phenyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.009202
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.4109125
• LogD (pH = 7.4): 2.4109125
• Log P: 2.4109128
• Molar Refractivity: 92.1249 cm^3
• Polarizability: 34.656654 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.73
• LOG S: -4.0
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 5