(4S)-N-cyclopentyl-4-hydroxy-3,3,4-trimethylpiperidine-1-carboxamide

• ChemBase ID: 499914
• Molecular Formular: C14H26N2O2
• Molecular Mass: 254.36844
• Monoisotopic Mass: 254.19942808
• SMILES: C(=O)(N1CC([C@](CC1)(O)C)(C)C)NC1CCCC1
• Canonical SMILES: O=C(N1CC[C@](C(C1)(C)C)(C)O)NC1CCCC1
• InChI: InChI=1S/C14H26N2O2/c1-13(2)10-16(9-8-14(13,3)18)12(17)15-11-6-4-5-7-11/h11,18H,4-10H2,1-3H3,(H,15,17)/t14-/m0/s1
• InChIKey: RGVNVUUTGQQFTE-AWEZNQCLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4S)-N-cyclopentyl-4-hydroxy-3,3,4-trimethylpiperidine-1-carboxamide
• IUPAC Traditional name: (4S)-N-cyclopentyl-4-hydroxy-3,3,4-trimethylpiperidine-1-carboxamide
• Synonyms: (4S)-N-cyclopentyl-4-hydroxy-3,3,4-trimethyl-1-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.467748
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.2322048
• LogD (pH = 7.4): 1.2322075
• Log P: 1.2322077
• Molar Refractivity: 71.3677 cm^3
• Polarizability: 28.026926 Å^3
• Polar Surface Area: 52.57 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 2.42
• LOG S: -3.12
• Polar Surface Area: 52.57 Å^2
• Rotatable Bonds: 1