N-cyclopropyl-3-(1-propylpiperidin-4-yl)propanamide

• ChemBase ID: 332201
• Molecular Formular: C14H26N2O
• Molecular Mass: 238.36904
• Monoisotopic Mass: 238.20451346
• SMILES: N1(CCC(CCC(=O)NC2CC2)CC1)CCC
• Canonical SMILES: CCCN1CCC(CC1)CCC(=O)NC1CC1
• InChI: InChI=1S/C14H26N2O/c1-2-9-16-10-7-12(8-11-16)3-6-14(17)15-13-4-5-13/h12-13H,2-11H2,1H3,(H,15,17)
• InChIKey: NOJDXNRWYNQBOP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-3-(1-propylpiperidin-4-yl)propanamide
• IUPAC Traditional name: N-cyclopropyl-3-(1-propylpiperidin-4-yl)propanamide
• Synonyms: N-cyclopropyl-3-(1-propyl-4-piperidinyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.00781
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8029417
• LogD (pH = 7.4): -0.9028066
• Log P: 1.6580786
• Molar Refractivity: 70.7488 cm^3
• Polarizability: 27.793371 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: 1.54
• LOG S: -2.16
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 4