N-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

• ChemBase ID: 683339
• Molecular Formular: C20H35N3O2
• Molecular Mass: 349.5108
• Monoisotopic Mass: 349.27292738
• SMILES: N1(C[C@@H]([C@H](C1)NC(=O)CC1CC(NC(C1)(C)C)(C)C)C1CC1)C(=O)C
• Canonical SMILES: O=C(N[C@H]1CN(C[C@@H]1C1CC1)C(=O)C)CC1CC(C)(C)NC(C1)(C)C
• InChI: InChI=1S/C20H35N3O2/c1-13(24)23-11-16(15-6-7-15)17(12-23)21-18(25)8-14-9-19(2,3)22-20(4,5)10-14/h14-17,22H,6-12H2,1-5H3,(H,21,25)/t16-,17+/m1/s1
• InChIKey: RLMNHWYFIXUADR-SJORKVTESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
• IUPAC Traditional name: N-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
• Synonyms: N-[(3R*,4S*)-1-acetyl-4-cyclopropyl-3-pyrrolidinyl]-2-(2,2,6,6-tetramethyl-4-piperidinyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.9466305
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.4119928
• LogD (pH = 7.4): -1.9890425
• Log P: 0.8207966
• Molar Refractivity: 99.104 cm^3
• Polarizability: 39.32225 Å^3
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.96
• LOG S: -3.42
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 4