N-[1-(2,5-difluorophenyl)cyclopropyl]-4-(piperidin-1-yl)butanamide

• ChemBase ID: 495802
• Molecular Formular: C18H24F2N2O
• Molecular Mass: 322.3927664
• Monoisotopic Mass: 322.18566984
• SMILES: C1(c2c(ccc(c2)F)F)(NC(=O)CCCN2CCCCC2)CC1
• Canonical SMILES: O=C(NC1(CC1)c1cc(F)ccc1F)CCCN1CCCCC1
• InChI: InChI=1S/C18H24F2N2O/c19-14-6-7-16(20)15(13-14)18(8-9-18)21-17(23)5-4-12-22-10-2-1-3-11-22/h6-7,13H,1-5,8-12H2,(H,21,23)
• InChIKey: RGYMOBDXQWLOMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(2,5-difluorophenyl)cyclopropyl]-4-(piperidin-1-yl)butanamide
• IUPAC Traditional name: N-[1-(2,5-difluorophenyl)cyclopropyl]-4-(piperidin-1-yl)butanamide
• Synonyms: N-[1-(2,5-difluorophenyl)cyclopropyl]-4-(1-piperidinyl)butanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.66029
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.5254272
• LogD (pH = 7.4): 0.7583646
• Log P: 2.8601365
• Molar Refractivity: 86.5342 cm^3
• Polarizability: 33.04287 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.56
• LOG S: -4.59
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 6