3-chloro-N-cyclopentyl-4-({1-[(6-methylpyridin-2-yl)methyl]piperidin-4-yl}oxy)benzamide

• ChemBase ID: 761116
• Molecular Formular: C24H30ClN3O2
• Molecular Mass: 427.9669
• Monoisotopic Mass: 427.2026549
• SMILES: C(=O)(c1cc(c(OC2CCN(Cc3nc(ccc3)C)CC2)cc1)Cl)NC1CCCC1
• Canonical SMILES: Cc1cccc(n1)CN1CCC(CC1)Oc1ccc(cc1Cl)C(=O)NC1CCCC1
• InChI: InChI=1S/C24H30ClN3O2/c1-17-5-4-8-20(26-17)16-28-13-11-21(12-14-28)30-23-10-9-18(15-22(23)25)24(29)27-19-6-2-3-7-19/h4-5,8-10,15,19,21H,2-3,6-7,11-14,16H2,1H3,(H,27,29)
• InChIKey: LJKFNSJHBQWEKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-N-cyclopentyl-4-({1-[(6-methylpyridin-2-yl)methyl]piperidin-4-yl}oxy)benzamide
• IUPAC Traditional name: 3-chloro-N-cyclopentyl-4-({1-[(6-methylpyridin-2-yl)methyl]piperidin-4-yl}oxy)benzamide
• Synonyms: 3-chloro-N-cyclopentyl-4-({1-[(6-methyl-2-pyridinyl)methyl]-4-piperidinyl}oxy)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.789039
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.9307956
• LogD (pH = 7.4): 3.3971484
• Log P: 3.5950863
• Molar Refractivity: 119.6904 cm^3
• Polarizability: 46.50641 Å^3
• Polar Surface Area: 54.46 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: 4.0
• LOG S: -6.14
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 6