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

• ChemBase ID: 428849
• Molecular Formular: C24H36N4O2
• Molecular Mass: 412.56824
• Monoisotopic Mass: 412.28382641
• SMILES: N1(C(=O)CCC1)CCC(=O)N(Cc1cnccc1)CC1CCN(CC1)C1CCCC1
• Canonical SMILES: O=C(N(Cc1cccnc1)CC1CCN(CC1)C1CCCC1)CCN1CCCC1=O
• InChI: InChI=1S/C24H36N4O2/c29-23-8-4-13-27(23)16-11-24(30)28(19-21-5-3-12-25-17-21)18-20-9-14-26(15-10-20)22-6-1-2-7-22/h3,5,12,17,20,22H,1-2,4,6-11,13-16,18-19H2
• InChIKey: BHZOHNXJXDZFGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-(2-oxopyrrolidin-1-yl)-N-(pyridin-3-ylmethyl)propanamide
• IUPAC Traditional name: N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-(2-oxopyrrolidin-1-yl)-N-(pyridin-3-ylmethyl)propanamide
• Synonyms: N-[(1-cyclopentyl-4-piperidinyl)methyl]-3-(2-oxo-1-pyrrolidinyl)-N-(3-pyridinylmethyl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.1784558
• LogD (pH = 7.4): -1.1532068
• Log P: 1.3483818
• Molar Refractivity: 118.6922 cm^3
• Polarizability: 46.1729 Å^3
• Polar Surface Area: 56.75 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: 1.61
• LOG S: -1.61
• Polar Surface Area: 56.75 Å^2
• Rotatable Bonds: 8