N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidine-3-carboxamide

• ChemBase ID: 343205
• Molecular Formular: C17H24N2O
• Molecular Mass: 272.38526
• Monoisotopic Mass: 272.1888634
• SMILES: C(=O)(C1CNCCC1)NCc1cc2c(cc1)CCCC2
• Canonical SMILES: O=C(C1CCCNC1)NCc1ccc2c(c1)CCCC2
• InChI: InChI=1S/C17H24N2O/c20-17(16-6-3-9-18-12-16)19-11-13-7-8-14-4-1-2-5-15(14)10-13/h7-8,10,16,18H,1-6,9,11-12H2,(H,19,20)
• InChIKey: CRDWIVZCHOUNDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidine-3-carboxamide
• IUPAC Traditional name: N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidine-3-carboxamide
• Synonyms: N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.916382
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.5564373
• LogD (pH = 7.4): 0.46172172
• Log P: 2.6296005
• Molar Refractivity: 81.735 cm^3
• Polarizability: 31.711796 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 2.68
• LOG S: -3.48
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 3