N-[1-(3-phenylpropyl)piperidin-3-yl]-3-(pyridin-2-yl)propanamide

• ChemBase ID: 624893
• Molecular Formular: C22H29N3O
• Molecular Mass: 351.48516
• Monoisotopic Mass: 351.23106256
• SMILES: N1(CC(NC(=O)CCc2ncccc2)CCC1)CCCc1ccccc1
• Canonical SMILES: O=C(NC1CCCN(C1)CCCc1ccccc1)CCc1ccccn1
• InChI: InChI=1S/C22H29N3O/c26-22(14-13-20-11-4-5-15-23-20)24-21-12-7-17-25(18-21)16-6-10-19-8-2-1-3-9-19/h1-5,8-9,11,15,21H,6-7,10,12-14,16-18H2,(H,24,26)
• InChIKey: DOVQDZSBKSQEIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(3-phenylpropyl)piperidin-3-yl]-3-(pyridin-2-yl)propanamide
• IUPAC Traditional name: N-[1-(3-phenylpropyl)piperidin-3-yl]-3-(pyridin-2-yl)propanamide
• Synonyms: N-[1-(3-phenylpropyl)-3-piperidinyl]-3-(2-pyridinyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.70913
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.022471325
• LogD (pH = 7.4): 1.7827959
• Log P: 3.0704517
• Molar Refractivity: 105.3037 cm^3
• Polarizability: 41.23319 Å^3
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.05
• LOG S: -4.28
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 8