N-cyclopentyl-3-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]propanamide

• ChemBase ID: 511077
• Molecular Formular: C15H28N2O2
• Molecular Mass: 268.39502
• Monoisotopic Mass: 268.21507815
• SMILES: [C@@]1([C@@H](CN(CCC(=O)NC2CCCC2)CC1)C)(O)C
• Canonical SMILES: O=C(NC1CCCC1)CCN1CC[C@]([C@@H](C1)C)(C)O
• InChI: InChI=1S/C15H28N2O2/c1-12-11-17(10-8-15(12,2)19)9-7-14(18)16-13-5-3-4-6-13/h12-13,19H,3-11H2,1-2H3,(H,16,18)/t12-,15+/m1/s1
• InChIKey: FLLFHJUEPXJYNK-DOMZBBRYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-3-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]propanamide
• IUPAC Traditional name: N-cyclopentyl-3-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]propanamide
• Synonyms: N-cyclopentyl-3-[(3R*,4S*)-4-hydroxy-3,4-dimethyl-1-piperidinyl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.698424
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.559691
• LogD (pH = 7.4): -1.1111023
• Log P: 0.75456065
• Molar Refractivity: 76.6831 cm^3
• Polarizability: 30.253265 Å^3
• Polar Surface Area: 52.57 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: 1.05
• LOG S: -2.06
• Polar Surface Area: 52.57 Å^2
• Rotatable Bonds: 4