(2R)-N-(carbamoylmethyl)-4-methyl-2-(piperidin-4-ylformamido)pentanamide

• ChemBase ID: 181713
• Molecular Formular: C14H26N4O3
• Molecular Mass: 298.38124
• Monoisotopic Mass: 298.20049071
• SMILES: C(=O)(N[C@@H](C(=O)NCC(=O)N)CC(C)C)C1CCNCC1
• Canonical SMILES: CC(C[C@H](C(=O)NCC(=O)N)NC(=O)C1CCNCC1)C
• InChI: InChI=1S/C14H26N4O3/c1-9(2)7-11(14(21)17-8-12(15)19)18-13(20)10-3-5-16-6-4-10/h9-11,16H,3-8H2,1-2H3,(H2,15,19)(H,17,21)(H,18,20)/t11-/m1/s1
• InChIKey: GEIFMTUKLPJQFY-LLVKDONJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-N-(carbamoylmethyl)-4-methyl-2-(piperidin-4-ylformamido)pentanamide
• IUPAC Traditional name: (2R)-N-(carbamoylmethyl)-4-methyl-2-(piperidin-4-ylformamido)pentanamide

Database IDs

• PubChem SID: 164237623
• PubChem CID: 7075094

CALCULATED PROPERTIES

• Acid pKa: 12.6224785
• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): -4.5403657
• LogD (pH = 7.4): -3.9557714
• Log P: -1.3144026
• Molar Refractivity: 78.672 cm^3
• Polarizability: 30.98594 Å^3
• Polar Surface Area: 113.32 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds