3-[(1-cyclopentanecarbonylpiperidin-4-yl)oxy]-N-(pyridin-2-ylmethyl)benzamide

• ChemBase ID: 466507
• Molecular Formular: C24H29N3O3
• Molecular Mass: 407.50536
• Monoisotopic Mass: 407.2208918
• SMILES: N1(C(=O)C2CCCC2)CCC(Oc2cc(C(=O)NCc3ncccc3)ccc2)CC1
• Canonical SMILES: O=C(N1CCC(CC1)Oc1cccc(c1)C(=O)NCc1ccccn1)C1CCCC1
• InChI: InChI=1S/C24H29N3O3/c28-23(26-17-20-9-3-4-13-25-20)19-8-5-10-22(16-19)30-21-11-14-27(15-12-21)24(29)18-6-1-2-7-18/h3-5,8-10,13,16,18,21H,1-2,6-7,11-12,14-15,17H2,(H,26,28)
• InChIKey: VNGNVMSGUZWFPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(1-cyclopentanecarbonylpiperidin-4-yl)oxy]-N-(pyridin-2-ylmethyl)benzamide
• IUPAC Traditional name: 3-[(1-cyclopentanecarbonylpiperidin-4-yl)oxy]-N-(pyridin-2-ylmethyl)benzamide
• Synonyms: 3-{[1-(cyclopentylcarbonyl)-4-piperidinyl]oxy}-N-(2-pyridinylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.435024
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.382827
• LogD (pH = 7.4): 2.400566
• Log P: 2.4007976
• Molar Refractivity: 114.7533 cm^3
• Polarizability: 44.380184 Å^3
• Polar Surface Area: 71.53 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.66
• LOG S: -5.45
• Polar Surface Area: 71.53 Å^2
• Rotatable Bonds: 6