N-[1-(methoxymethyl)cyclopentyl]-1-(pyridin-2-yl)piperidine-3-carboxamide

• ChemBase ID: 826644
• Molecular Formular: C18H27N3O2
• Molecular Mass: 317.42588
• Monoisotopic Mass: 317.21032712
• SMILES: N1(CC(C(=O)NC2(COC)CCCC2)CCC1)c1ncccc1
• Canonical SMILES: COCC1(CCCC1)NC(=O)C1CCCN(C1)c1ccccn1
• InChI: InChI=1S/C18H27N3O2/c1-23-14-18(9-3-4-10-18)20-17(22)15-7-6-12-21(13-15)16-8-2-5-11-19-16/h2,5,8,11,15H,3-4,6-7,9-10,12-14H2,1H3,(H,20,22)
• InChIKey: ZDCSRUTVHNETJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(methoxymethyl)cyclopentyl]-1-(pyridin-2-yl)piperidine-3-carboxamide
• IUPAC Traditional name: N-[1-(methoxymethyl)cyclopentyl]-1-(pyridin-2-yl)piperidine-3-carboxamide
• Synonyms: N-[1-(methoxymethyl)cyclopentyl]-1-pyridin-2-ylpiperidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.071526
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.4555992
• LogD (pH = 7.4): 2.2916377
• Log P: 2.3353214
• Molar Refractivity: 90.9363 cm^3
• Polarizability: 34.95399 Å^3
• Polar Surface Area: 54.46 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: 1.24
• LOG S: -2.57
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 5