N-[(1-cyclopentylpiperidin-4-yl)methyl]-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide

• ChemBase ID: 337589
• Molecular Formular: C22H29N3OS
• Molecular Mass: 383.55016
• Monoisotopic Mass: 383.20313356
• SMILES: N(C(=O)c1sccc1)(Cc1cnccc1)CC1CCN(CC1)C1CCCC1
• Canonical SMILES: O=C(c1cccs1)N(Cc1cccnc1)CC1CCN(CC1)C1CCCC1
• InChI: InChI=1S/C22H29N3OS/c26-22(21-8-4-14-27-21)25(17-19-5-3-11-23-15-19)16-18-9-12-24(13-10-18)20-6-1-2-7-20/h3-5,8,11,14-15,18,20H,1-2,6-7,9-10,12-13,16-17H2
• InChIKey: PQGNAVIVKIHYJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-cyclopentylpiperidin-4-yl)methyl]-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
• IUPAC Traditional name: N-[(1-cyclopentylpiperidin-4-yl)methyl]-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
• Synonyms: N-[(1-cyclopentyl-4-piperidinyl)methyl]-N-(3-pyridinylmethyl)-2-thiophenecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.006202871
• LogD (pH = 7.4): 1.0314409
• Log P: 3.533029
• Molar Refractivity: 110.9577 cm^3
• Polarizability: 42.686687 Å^3
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.96
• LOG S: -3.63
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 6