[(1-cyclopentylpiperidin-4-yl)methyl][(5-ethylfuran-2-yl)methyl](pyridin-3-ylmethyl)amine

• ChemBase ID: 839064
• Molecular Formular: C24H35N3O
• Molecular Mass: 381.5542
• Monoisotopic Mass: 381.27801276
• SMILES: N1(CCC(CN(Cc2oc(cc2)CC)Cc2cnccc2)CC1)C1CCCC1
• Canonical SMILES: CCc1ccc(o1)CN(Cc1cccnc1)CC1CCN(CC1)C1CCCC1
• InChI: InChI=1S/C24H35N3O/c1-2-23-9-10-24(28-23)19-26(18-21-6-5-13-25-16-21)17-20-11-14-27(15-12-20)22-7-3-4-8-22/h5-6,9-10,13,16,20,22H,2-4,7-8,11-12,14-15,17-19H2,1H3
• InChIKey: NTNZUVMCMLMUAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1-cyclopentylpiperidin-4-yl)methyl][(5-ethylfuran-2-yl)methyl](pyridin-3-ylmethyl)amine
• IUPAC Traditional name: [(1-cyclopentylpiperidin-4-yl)methyl][(5-ethylfuran-2-yl)methyl](pyridin-3-ylmethyl)amine
• Synonyms: 1-(1-cyclopentyl-4-piperidinyl)-N-[(5-ethyl-2-furyl)methyl]-N-(3-pyridinylmethyl)methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.9870698
• LogD (pH = 7.4): 0.5258029
• Log P: 4.045882
• Molar Refractivity: 115.8033 cm^3
• Polarizability: 45.047443 Å^3
• Polar Surface Area: 32.51 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.34
• LOG S: -3.4
• Polar Surface Area: 32.51 Å^2
• Rotatable Bonds: 7