N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-[2-(piperidin-1-yl)ethyl]propanamide

• ChemBase ID: 451605
• Molecular Formular: C21H39N3O
• Molecular Mass: 349.55386
• Monoisotopic Mass: 349.30931288
• SMILES: N1(CC(CN(C(=O)CC)CCN2CCCCC2)CCC1)C1CCCC1
• Canonical SMILES: CCC(=O)N(CC1CCCN(C1)C1CCCC1)CCN1CCCCC1
• InChI: InChI=1S/C21H39N3O/c1-2-21(25)24(16-15-22-12-6-3-7-13-22)18-19-9-8-14-23(17-19)20-10-4-5-11-20/h19-20H,2-18H2,1H3
• InChIKey: DCULULAIJOZCJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-[2-(piperidin-1-yl)ethyl]propanamide
• IUPAC Traditional name: N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-[2-(piperidin-1-yl)ethyl]propanamide
• Synonyms: N-[(1-cyclopentyl-3-piperidinyl)methyl]-N-[2-(1-piperidinyl)ethyl]propanamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Log P: 3.54
• LOG S: -1.8
• Polar Surface Area: 26.79 Å^2
• Rotatable Bonds: 6
• H Acceptors: 3
• H Donor: 0

JChem

• Molar Refractivity: 105.6308 cm^3
• Polarizability: 41.493187 Å^3
• Polar Surface Area: 26.79 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -3.3680062
• LogD (pH = 7.4): -0.5451935
• Log P: 2.8702757