1-cyclopentyl-N-{2-[(3-methylpyridin-4-yl)amino]ethyl}piperidine-3-carboxamide

• ChemBase ID: 549589
• Molecular Formular: C19H30N4O
• Molecular Mass: 330.4677
• Monoisotopic Mass: 330.2419616
• SMILES: N1(CC(C(=O)NCCNc2c(cncc2)C)CCC1)C1CCCC1
• Canonical SMILES: O=C(C1CCCN(C1)C1CCCC1)NCCNc1ccncc1C
• InChI: InChI=1S/C19H30N4O/c1-15-13-20-9-8-18(15)21-10-11-22-19(24)16-5-4-12-23(14-16)17-6-2-3-7-17/h8-9,13,16-17H,2-7,10-12,14H2,1H3,(H,20,21)(H,22,24)
• InChIKey: YCYOISSABNIQSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopentyl-N-{2-[(3-methylpyridin-4-yl)amino]ethyl}piperidine-3-carboxamide
• IUPAC Traditional name: 1-cyclopentyl-N-{2-[(3-methylpyridin-4-yl)amino]ethyl}piperidine-3-carboxamide
• Synonyms: 1-cyclopentyl-N-{2-[(3-methyl-4-pyridinyl)amino]ethyl}-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.809521
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.6969938
• LogD (pH = 7.4): -1.8731813
• Log P: 1.7608708
• Molar Refractivity: 98.5152 cm^3
• Polarizability: 37.548317 Å^3
• Polar Surface Area: 57.26 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.41
• LOG S: -3.67
• Polar Surface Area: 57.26 Å^2
• Rotatable Bonds: 6