4-{[1-(carbamoylmethyl)piperidin-4-yl]oxy}-3-chloro-N-cyclopentylbenzamide

• ChemBase ID: 721878
• Molecular Formular: C19H26ClN3O3
• Molecular Mass: 379.88104
• Monoisotopic Mass: 379.16626939
• SMILES: C(=O)(c1cc(c(OC2CCN(CC(=O)N)CC2)cc1)Cl)NC1CCCC1
• Canonical SMILES: NC(=O)CN1CCC(CC1)Oc1ccc(cc1Cl)C(=O)NC1CCCC1
• InChI: InChI=1S/C19H26ClN3O3/c20-16-11-13(19(25)22-14-3-1-2-4-14)5-6-17(16)26-15-7-9-23(10-8-15)12-18(21)24/h5-6,11,14-15H,1-4,7-10,12H2,(H2,21,24)(H,22,25)
• InChIKey: ISSBKMZRPMAXIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{[1-(carbamoylmethyl)piperidin-4-yl]oxy}-3-chloro-N-cyclopentylbenzamide
• IUPAC Traditional name: 4-{[1-(carbamoylmethyl)piperidin-4-yl]oxy}-3-chloro-N-cyclopentylbenzamide
• Synonyms: 4-{[1-(2-amino-2-oxoethyl)piperidin-4-yl]oxy}-3-chloro-N-cyclopentylbenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.478611
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.1624763
• LogD (pH = 7.4): 1.4344383
• Log P: 1.5464842
• Molar Refractivity: 101.0722 cm^3
• Polarizability: 39.13807 Å^3
• Polar Surface Area: 84.66 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.38
• LOG S: -4.0
• Polar Surface Area: 84.66 Å^2
• Rotatable Bonds: 6