1-(carbamoylmethyl)-N-methyl-N-[3-(1H-pyrazol-1-yl)propyl]piperidine-4-carboxamide

• ChemBase ID: 357602
• Molecular Formular: C15H25N5O2
• Molecular Mass: 307.3913
• Monoisotopic Mass: 307.20082507
• SMILES: C(=O)(N(CCCn1nccc1)C)C1CCN(CC(=O)N)CC1
• Canonical SMILES: NC(=O)CN1CCC(CC1)C(=O)N(CCCn1cccn1)C
• InChI: InChI=1S/C15H25N5O2/c1-18(7-3-9-20-8-2-6-17-20)15(22)13-4-10-19(11-5-13)12-14(16)21/h2,6,8,13H,3-5,7,9-12H2,1H3,(H2,16,21)
• InChIKey: ZRIWBEKNBYOWAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(carbamoylmethyl)-N-methyl-N-[3-(1H-pyrazol-1-yl)propyl]piperidine-4-carboxamide
• IUPAC Traditional name: 1-(carbamoylmethyl)-N-methyl-N-[3-(pyrazol-1-yl)propyl]piperidine-4-carboxamide
• Synonyms: 1-(2-amino-2-oxoethyl)-N-methyl-N-[3-(1H-pyrazol-1-yl)propyl]-4-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.122967
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.866633
• LogD (pH = 7.4): -1.3599526
• Log P: -1.135729
• Molar Refractivity: 95.7502 cm^3
• Polarizability: 32.47371 Å^3
• Polar Surface Area: 84.46 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.99
• LOG S: -1.91
• Polar Surface Area: 84.46 Å^2
• Rotatable Bonds: 7