N-[3-(2-ethylpiperidine-1-carbonyl)phenyl]cyclopentanecarboxamide

• ChemBase ID: 720542
• Molecular Formular: C20H28N2O2
• Molecular Mass: 328.44852
• Monoisotopic Mass: 328.21507815
• SMILES: C(=O)(N1C(CC)CCCC1)c1cc(NC(=O)C2CCCC2)ccc1
• Canonical SMILES: CCC1CCCCN1C(=O)c1cccc(c1)NC(=O)C1CCCC1
• InChI: InChI=1S/C20H28N2O2/c1-2-18-12-5-6-13-22(18)20(24)16-10-7-11-17(14-16)21-19(23)15-8-3-4-9-15/h7,10-11,14-15,18H,2-6,8-9,12-13H2,1H3,(H,21,23)
• InChIKey: HEJXKECMXYEEDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(2-ethylpiperidine-1-carbonyl)phenyl]cyclopentanecarboxamide
• IUPAC Traditional name: N-[3-(2-ethylpiperidine-1-carbonyl)phenyl]cyclopentanecarboxamide
• Synonyms: N-{3-[(2-ethylpiperidin-1-yl)carbonyl]phenyl}cyclopentanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.671877
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.9673455
• LogD (pH = 7.4): 3.9673455
• Log P: 3.9673457
• Molar Refractivity: 97.4788 cm^3
• Polarizability: 36.836346 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.81
• LOG S: -4.85
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 4