N-[(1-cyclopentylpiperidin-4-yl)methyl]-N-(oxolan-2-ylmethyl)-3-(pyridin-2-yl)propanamide

• ChemBase ID: 389687
• Molecular Formular: C24H37N3O2
• Molecular Mass: 399.56948
• Monoisotopic Mass: 399.28857744
• SMILES: N(C(=O)CCc1ncccc1)(CC1OCCC1)CC1CCN(CC1)C1CCCC1
• Canonical SMILES: O=C(N(CC1CCCO1)CC1CCN(CC1)C1CCCC1)CCc1ccccn1
• InChI: InChI=1S/C24H37N3O2/c28-24(11-10-21-6-3-4-14-25-21)27(19-23-9-5-17-29-23)18-20-12-15-26(16-13-20)22-7-1-2-8-22/h3-4,6,14,20,22-23H,1-2,5,7-13,15-19H2
• InChIKey: HDLMKYJRVMDADI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-cyclopentylpiperidin-4-yl)methyl]-N-(oxolan-2-ylmethyl)-3-(pyridin-2-yl)propanamide
• IUPAC Traditional name: N-[(1-cyclopentylpiperidin-4-yl)methyl]-N-(oxolan-2-ylmethyl)-3-(pyridin-2-yl)propanamide
• Synonyms: N-[(1-cyclopentyl-4-piperidinyl)methyl]-3-(2-pyridinyl)-N-(tetrahydro-2-furanylmethyl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.88780916
• LogD (pH = 7.4): 0.11171941
• Log P: 2.6129136
• Molar Refractivity: 115.9385 cm^3
• Polarizability: 45.660774 Å^3
• Polar Surface Area: 45.67 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: 2.65
• LOG S: -3.67
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 8