4-[(1-cyclopentylpiperidin-4-yl)oxy]-3-methoxy-N-(1H-pyrazol-3-ylmethyl)benzamide

• ChemBase ID: 426827
• Molecular Formular: C22H30N4O3
• Molecular Mass: 398.4986
• Monoisotopic Mass: 398.23179084
• SMILES: N1(CCC(Oc2c(cc(C(=O)NCc3n[nH]cc3)cc2)OC)CC1)C1CCCC1
• Canonical SMILES: COc1cc(ccc1OC1CCN(CC1)C1CCCC1)C(=O)NCc1n[nH]cc1
• InChI: InChI=1S/C22H30N4O3/c1-28-21-14-16(22(27)23-15-17-8-11-24-25-17)6-7-20(21)29-19-9-12-26(13-10-19)18-4-2-3-5-18/h6-8,11,14,18-19H,2-5,9-10,12-13,15H2,1H3,(H,23,27)(H,24,25)
• InChIKey: QFOKCTHEEJPACN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(1-cyclopentylpiperidin-4-yl)oxy]-3-methoxy-N-(1H-pyrazol-3-ylmethyl)benzamide
• IUPAC Traditional name: 4-[(1-cyclopentylpiperidin-4-yl)oxy]-3-methoxy-N-(1H-pyrazol-3-ylmethyl)benzamide
• Synonyms: 4-[(1-cyclopentylpiperidin-4-yl)oxy]-3-methoxy-N-(1H-pyrazol-3-ylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.018083
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -1.1390668
• LogD (pH = 7.4): 0.20775
• Log P: 2.2238567
• Molar Refractivity: 112.6016 cm^3
• Polarizability: 43.0874 Å^3
• Polar Surface Area: 79.48 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 2.63
• LOG S: -4.35
• Polar Surface Area: 79.48 Å^2
• Rotatable Bonds: 7