N-{1-[3-(piperidin-3-yl)benzoyl]piperidin-4-yl}methanesulfonamide

• ChemBase ID: 315710
• Molecular Formular: C18H27N3O3S
• Molecular Mass: 365.49028
• Monoisotopic Mass: 365.17731274
• SMILES: S(=O)(=O)(NC1CCN(C(=O)c2cc(C3CNCCC3)ccc2)CC1)C
• Canonical SMILES: O=C(c1cccc(c1)C1CCCNC1)N1CCC(CC1)NS(=O)(=O)C
• InChI: InChI=1S/C18H27N3O3S/c1-25(23,24)20-17-7-10-21(11-8-17)18(22)15-5-2-4-14(12-15)16-6-3-9-19-13-16/h2,4-5,12,16-17,19-20H,3,6-11,13H2,1H3
• InChIKey: GBZRMWJFEYNNPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1-[3-(piperidin-3-yl)benzoyl]piperidin-4-yl}methanesulfonamide
• IUPAC Traditional name: N-{1-[3-(piperidin-3-yl)benzoyl]piperidin-4-yl}methanesulfonamide
• Synonyms: N-[1-(3-piperidin-3-ylbenzoyl)piperidin-4-yl]methanesulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.535591
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.236692
• LogD (pH = 7.4): -2.4926836
• Log P: -0.15609089
• Molar Refractivity: 98.7004 cm^3
• Polarizability: 38.733795 Å^3
• Polar Surface Area: 78.51 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.09
• LOG S: -3.25
• Polar Surface Area: 78.51 Å^2
• Rotatable Bonds: 3