1-[1-(cyclopropylmethyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide

• ChemBase ID: 339097
• Molecular Formular: C23H35N3O
• Molecular Mass: 369.5435
• Monoisotopic Mass: 369.27801276
• SMILES: N1(C2CCN(CC3CC3)CC2)CCC(C(=O)NCCc2ccccc2)CC1
• Canonical SMILES: O=C(C1CCN(CC1)C1CCN(CC1)CC1CC1)NCCc1ccccc1
• InChI: InChI=1S/C23H35N3O/c27-23(24-13-8-19-4-2-1-3-5-19)21-9-16-26(17-10-21)22-11-14-25(15-12-22)18-20-6-7-20/h1-5,20-22H,6-18H2,(H,24,27)
• InChIKey: LMCRDGKUWMSQJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[1-(cyclopropylmethyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
• IUPAC Traditional name: 1-[1-(cyclopropylmethyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
• Synonyms: 1'-(cyclopropylmethyl)-N-(2-phenylethyl)-1,4'-bipiperidine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.009197
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.0893087
• LogD (pH = 7.4): -0.5931151
• Log P: 2.5005312
• Molar Refractivity: 111.8496 cm^3
• Polarizability: 43.732132 Å^3
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.21
• LOG S: -4.64
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 7