N-[(3R)-piperidin-3-yl]-5,6,7,8-tetrahydroquinoline-3-carboxamide

• ChemBase ID: 822140
• Molecular Formular: C15H21N3O
• Molecular Mass: 259.34674
• Monoisotopic Mass: 259.16846231
• SMILES: c1(C(=O)N[C@H]2CNCCC2)cc2c(nc1)CCCC2
• Canonical SMILES: O=C(c1cnc2c(c1)CCCC2)N[C@@H]1CCCNC1
• InChI: InChI=1S/C15H21N3O/c19-15(18-13-5-3-7-16-10-13)12-8-11-4-1-2-6-14(11)17-9-12/h8-9,13,16H,1-7,10H2,(H,18,19)/t13-/m1/s1
• InChIKey: LCKLUJNTHSIUAR-CYBMUJFWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3R)-piperidin-3-yl]-5,6,7,8-tetrahydroquinoline-3-carboxamide
• IUPAC Traditional name: N-[(3R)-piperidin-3-yl]-5,6,7,8-tetrahydroquinoline-3-carboxamide
• Synonyms: N-[(3R)-piperidin-3-yl]-5,6,7,8-tetrahydroquinoline-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.267541
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.9622242
• LogD (pH = 7.4): -0.83885944
• Log P: 1.257221
• Molar Refractivity: 74.8702 cm^3
• Polarizability: 28.749855 Å^3
• Polar Surface Area: 54.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.94
• LOG S: -2.75
• Polar Surface Area: 54.02 Å^2
• Rotatable Bonds: 2