N-cyclopropyl-1-(1-{furo[3,2-c]pyridin-4-yl}piperidin-4-yl)piperidine-3-carboxamide

• ChemBase ID: 639267
• Molecular Formular: C21H28N4O2
• Molecular Mass: 368.47262
• Monoisotopic Mass: 368.22122616
• SMILES: c1(c2c(occ2)ccn1)N1CCC(N2CC(C(=O)NC3CC3)CCC2)CC1
• Canonical SMILES: O=C(C1CCCN(C1)C1CCN(CC1)c1nccc2c1cco2)NC1CC1
• InChI: InChI=1S/C21H28N4O2/c26-21(23-16-3-4-16)15-2-1-10-25(14-15)17-6-11-24(12-7-17)20-18-8-13-27-19(18)5-9-22-20/h5,8-9,13,15-17H,1-4,6-7,10-12,14H2,(H,23,26)
• InChIKey: AIIMOZFCHQIDCE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-1-(1-{furo[3,2-c]pyridin-4-yl}piperidin-4-yl)piperidine-3-carboxamide
• IUPAC Traditional name: N-cyclopropyl-1-(1-{furo[3,2-c]pyridin-4-yl}piperidin-4-yl)piperidine-3-carboxamide
• Synonyms: N-cyclopropyl-1'-furo[3,2-c]pyridin-4-yl-1,4'-bipiperidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.694545
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.8266053
• LogD (pH = 7.4): -0.4310543
• Log P: 1.7553204
• Molar Refractivity: 105.0934 cm^3
• Polarizability: 41.281242 Å^3
• Polar Surface Area: 61.61 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.53
• LOG S: -3.19
• Polar Surface Area: 61.61 Å^2
• Rotatable Bonds: 4