1-(carbamoylmethyl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperidine-4-carboxamide

• ChemBase ID: 732237
• Molecular Formular: C13H21N5O3
• Molecular Mass: 295.33754
• Monoisotopic Mass: 295.16443956
• SMILES: c1(nnc(o1)C)C(NC(=O)C1CCN(CC(=O)N)CC1)C
• Canonical SMILES: CC(c1nnc(o1)C)NC(=O)C1CCN(CC1)CC(=O)N
• InChI: InChI=1S/C13H21N5O3/c1-8(13-17-16-9(2)21-13)15-12(20)10-3-5-18(6-4-10)7-11(14)19/h8,10H,3-7H2,1-2H3,(H2,14,19)(H,15,20)
• InChIKey: CAJDDFYMAIHNPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(carbamoylmethyl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperidine-4-carboxamide
• IUPAC Traditional name: 1-(carbamoylmethyl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperidine-4-carboxamide
• Synonyms: 1-(2-amino-2-oxoethyl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-4-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.313392
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -4.013943
• LogD (pH = 7.4): -2.4495282
• Log P: -2.1780374
• Molar Refractivity: 76.7955 cm^3
• Polarizability: 28.938023 Å^3
• Polar Surface Area: 114.35 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: -1.73
• LOG S: -1.19
• Polar Surface Area: 114.35 Å^2
• Rotatable Bonds: 5