3-[1-(3-cyclopentylpropyl)piperidin-4-yl]-N-cyclopropylpropanamide

• ChemBase ID: 774971
• Molecular Formular: C19H34N2O
• Molecular Mass: 306.48606
• Monoisotopic Mass: 306.26711372
• SMILES: N1(CCC(CCC(=O)NC2CC2)CC1)CCCC1CCCC1
• Canonical SMILES: O=C(NC1CC1)CCC1CCN(CC1)CCCC1CCCC1
• InChI: InChI=1S/C19H34N2O/c22-19(20-18-8-9-18)10-7-17-11-14-21(15-12-17)13-3-6-16-4-1-2-5-16/h16-18H,1-15H2,(H,20,22)
• InChIKey: DKQYITFZUGDCCX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[1-(3-cyclopentylpropyl)piperidin-4-yl]-N-cyclopropylpropanamide
• IUPAC Traditional name: 3-[1-(3-cyclopentylpropyl)piperidin-4-yl]-N-cyclopropylpropanamide
• Synonyms: 3-[1-(3-cyclopentylpropyl)-4-piperidinyl]-N-cyclopropylpropanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.00781
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.19128664
• LogD (pH = 7.4): 0.7899475
• Log P: 3.2596464
• Molar Refractivity: 91.8992 cm^3
• Polarizability: 36.279938 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.46
• LOG S: -3.97
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 8