ethyl 4-{[(1-cyclopentylpiperidin-4-yl)methyl]amino}piperidine-1-carboxylate

• ChemBase ID: 858670
• Molecular Formular: C19H35N3O2
• Molecular Mass: 337.5001
• Monoisotopic Mass: 337.27292738
• SMILES: N1(C(=O)OCC)CCC(NCC2CCN(CC2)C2CCCC2)CC1
• Canonical SMILES: CCOC(=O)N1CCC(CC1)NCC1CCN(CC1)C1CCCC1
• InChI: InChI=1S/C19H35N3O2/c1-2-24-19(23)22-13-9-17(10-14-22)20-15-16-7-11-21(12-8-16)18-5-3-4-6-18/h16-18,20H,2-15H2,1H3
• InChIKey: FYAICSKJECJUJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 4-{[(1-cyclopentylpiperidin-4-yl)methyl]amino}piperidine-1-carboxylate
• IUPAC Traditional name: ethyl 4-{[(1-cyclopentylpiperidin-4-yl)methyl]amino}piperidine-1-carboxylate
• Synonyms: ethyl 4-{[(1-cyclopentylpiperidin-4-yl)methyl]amino}piperidine-1-carboxylate

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.840805
• LogD (pH = 7.4): -3.961162
• Log P: 1.8790299
• Molar Refractivity: 97.4702 cm^3
• Polarizability: 38.490273 Å^3
• Polar Surface Area: 44.81 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: 2.21
• LOG S: -2.54
• Polar Surface Area: 44.81 Å^2
• Rotatable Bonds: 6