N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-(1H-pyrazol-1-yl)-N-(pyridin-3-ylmethyl)propanamide

• ChemBase ID: 510319
• Molecular Formular: C23H33N5O
• Molecular Mass: 395.54102
• Monoisotopic Mass: 395.2685107
• SMILES: N(C(=O)CCn1nccc1)(Cc1cnccc1)CC1CCN(CC1)C1CCCC1
• Canonical SMILES: O=C(N(Cc1cccnc1)CC1CCN(CC1)C1CCCC1)CCn1cccn1
• InChI: InChI=1S/C23H33N5O/c29-23(10-16-28-13-4-12-25-28)27(19-21-5-3-11-24-17-21)18-20-8-14-26(15-9-20)22-6-1-2-7-22/h3-5,11-13,17,20,22H,1-2,6-10,14-16,18-19H2
• InChIKey: SEFDDUCGEXGAKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-(1H-pyrazol-1-yl)-N-(pyridin-3-ylmethyl)propanamide
• IUPAC Traditional name: N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-(pyrazol-1-yl)-N-(pyridin-3-ylmethyl)propanamide
• Synonyms: N-[(1-cyclopentyl-4-piperidinyl)methyl]-3-(1H-pyrazol-1-yl)-N-(3-pyridinylmethyl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.4215516
• LogD (pH = 7.4): -0.39616936
• Log P: 2.1054208
• Molar Refractivity: 126.499 cm^3
• Polarizability: 44.73038 Å^3
• Polar Surface Area: 54.26 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.0
• LOG S: -3.09
• Polar Surface Area: 54.26 Å^2
• Rotatable Bonds: 8