3-[1-(cyclohexylmethyl)piperidin-3-yl]-N-cyclopropylpropanamide

• ChemBase ID: 699440
• Molecular Formular: C18H32N2O
• Molecular Mass: 292.45948
• Monoisotopic Mass: 292.25146365
• SMILES: N1(CC2CCCCC2)CC(CCC(=O)NC2CC2)CCC1
• Canonical SMILES: O=C(NC1CC1)CCC1CCCN(C1)CC1CCCCC1
• InChI: InChI=1S/C18H32N2O/c21-18(19-17-9-10-17)11-8-16-7-4-12-20(14-16)13-15-5-2-1-3-6-15/h15-17H,1-14H2,(H,19,21)
• InChIKey: ZAWHNCHGWZAVKL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.938614
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.50792974
• LogD (pH = 7.4): 0.18676856
• Log P: 2.9709852
• Molar Refractivity: 87.1442 cm^3
• Polarizability: 34.43578 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: 2.96
• LOG S: -3.47
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 6