1-({[(2R)-1,1-diphenylpropan-2-yl]carbamoyl}methyl)piperidine-4-carboxamide

• ChemBase ID: 519185
• Molecular Formular: C23H29N3O2
• Molecular Mass: 379.49526
• Monoisotopic Mass: 379.22597718
• SMILES: [C@H](NC(=O)CN1CCC(C(=O)N)CC1)(C(c1ccccc1)c1ccccc1)C
• Canonical SMILES: C[C@H](C(c1ccccc1)c1ccccc1)NC(=O)CN1CCC(CC1)C(=O)N
• InChI: InChI=1S/C23H29N3O2/c1-17(25-21(27)16-26-14-12-20(13-15-26)23(24)28)22(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,17,20,22H,12-16H2,1H3,(H2,24,28)(H,25,27)/t17-/m1/s1
• InChIKey: ZVXUPSDUKFMCJO-QGZVFWFLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-({[(2R)-1,1-diphenylpropan-2-yl]carbamoyl}methyl)piperidine-4-carboxamide
• IUPAC Traditional name: 1-({[(2R)-1,1-diphenylpropan-2-yl]carbamoyl}methyl)piperidine-4-carboxamide
• Synonyms: 1-(2-{[(1R)-1-methyl-2,2-diphenylethyl]amino}-2-oxoethyl)-4-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.474105
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.28267163
• LogD (pH = 7.4): 1.9223017
• Log P: 2.2795403
• Molar Refractivity: 111.3487 cm^3
• Polarizability: 43.399437 Å^3
• Polar Surface Area: 75.43 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.86
• LOG S: -4.41
• Polar Surface Area: 75.43 Å^2
• Rotatable Bonds: 7