N-(3-methoxyphenyl)-2-[3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]acetamide

• ChemBase ID: 753475
• Molecular Formular: C18H25N3O3
• Molecular Mass: 331.4094
• Monoisotopic Mass: 331.18959168
• SMILES: N1(C(=O)CCC1)C1CN(CC(=O)Nc2cc(OC)ccc2)CCC1
• Canonical SMILES: COc1cccc(c1)NC(=O)CN1CCCC(C1)N1CCCC1=O
• InChI: InChI=1S/C18H25N3O3/c1-24-16-7-2-5-14(11-16)19-17(22)13-20-9-3-6-15(12-20)21-10-4-8-18(21)23/h2,5,7,11,15H,3-4,6,8-10,12-13H2,1H3,(H,19,22)
• InChIKey: NKTSBWOOHHANBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-methoxyphenyl)-2-[3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]acetamide
• IUPAC Traditional name: N-(3-methoxyphenyl)-2-[3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]acetamide
• Synonyms: N-(3-methoxyphenyl)-2-[3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.136312
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.16883548
• LogD (pH = 7.4): 0.82994604
• Log P: 0.88288975
• Molar Refractivity: 93.21 cm^3
• Polarizability: 35.586086 Å^3
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.82
• LOG S: -3.17
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 5