N-[(1R,3R)-3-aminocyclopentyl]-2-(1-benzylpiperidin-4-yl)acetamide

• ChemBase ID: 857871
• Molecular Formular: C19H29N3O
• Molecular Mass: 315.45306
• Monoisotopic Mass: 315.23106256
• SMILES: C(=O)(N[C@H]1C[C@H](N)CC1)CC1CCN(Cc2ccccc2)CC1
• Canonical SMILES: N[C@@H]1CC[C@H](C1)NC(=O)CC1CCN(CC1)Cc1ccccc1
• InChI: InChI=1S/C19H29N3O/c20-17-6-7-18(13-17)21-19(23)12-15-8-10-22(11-9-15)14-16-4-2-1-3-5-16/h1-5,15,17-18H,6-14,20H2,(H,21,23)/t17-,18-/m1/s1
• InChIKey: YSTXYRXJVITPCN-QZTJIDSGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1R,3R)-3-aminocyclopentyl]-2-(1-benzylpiperidin-4-yl)acetamide
• IUPAC Traditional name: N-[(1R,3R)-3-aminocyclopentyl]-2-(1-benzylpiperidin-4-yl)acetamide
• Synonyms: N-[(1R*,3R*)-3-aminocyclopentyl]-2-(1-benzylpiperidin-4-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.934615
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.748468
• LogD (pH = 7.4): -2.5378394
• Log P: 1.3813957
• Molar Refractivity: 93.9732 cm^3
• Polarizability: 37.085293 Å^3
• Polar Surface Area: 58.36 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.05
• LOG S: -2.4
• Polar Surface Area: 58.36 Å^2
• Rotatable Bonds: 5