1-(1-cyclopentylpiperidin-4-yl)-N-cyclopropylpiperidine-3-carboxamide

• ChemBase ID: 473807
• Molecular Formular: C19H33N3O
• Molecular Mass: 319.48482
• Monoisotopic Mass: 319.26236269
• SMILES: C(=O)(C1CN(C2CCN(CC2)C2CCCC2)CCC1)NC1CC1
• Canonical SMILES: O=C(C1CCCN(C1)C1CCN(CC1)C1CCCC1)NC1CC1
• InChI: InChI=1S/C19H33N3O/c23-19(20-16-7-8-16)15-4-3-11-22(14-15)18-9-12-21(13-10-18)17-5-1-2-6-17/h15-18H,1-14H2,(H,20,23)
• InChIKey: NKSGUBNSCXUYEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-cyclopentylpiperidin-4-yl)-N-cyclopropylpiperidine-3-carboxamide
• IUPAC Traditional name: 1-(1-cyclopentylpiperidin-4-yl)-N-cyclopropylpiperidine-3-carboxamide
• Synonyms: 1'-cyclopentyl-N-cyclopropyl-1,4'-bipiperidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.739984
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.0645466
• LogD (pH = 7.4): -1.6749544
• Log P: 1.6829935
• Molar Refractivity: 94.0104 cm^3
• Polarizability: 37.072514 Å^3
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.51
• LOG S: -2.33
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 4