1-cyclohexyl-N-(1H-1,2,3,4-tetrazol-5-ylmethyl)piperidine-4-carboxamide

• ChemBase ID: 468035
• Molecular Formular: C14H24N6O
• Molecular Mass: 292.37996
• Monoisotopic Mass: 292.20115942
• SMILES: n1nc([nH]n1)CNC(=O)C1CCN(CC1)C1CCCCC1
• Canonical SMILES: O=C(C1CCN(CC1)C1CCCCC1)NCc1nnn[nH]1
• InChI: InChI=1S/C14H24N6O/c21-14(15-10-13-16-18-19-17-13)11-6-8-20(9-7-11)12-4-2-1-3-5-12/h11-12H,1-10H2,(H,15,21)(H,16,17,18,19)
• InChIKey: MYZIRJPIFIXXFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclohexyl-N-(1H-1,2,3,4-tetrazol-5-ylmethyl)piperidine-4-carboxamide
• IUPAC Traditional name: 1-cyclohexyl-N-(1H-1,2,3,4-tetrazol-5-ylmethyl)piperidine-4-carboxamide
• Synonyms: 1-cyclohexyl-N-(1H-tetrazol-5-ylmethyl)-4-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 4.1133094
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -1.4972544
• LogD (pH = 7.4): -1.4793004
• Log P: -1.4804066
• Molar Refractivity: 82.3033 cm^3
• Polarizability: 30.63942 Å^3
• Polar Surface Area: 86.8 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.62
• LOG S: -1.86
• Polar Surface Area: 86.8 Å^2
• Rotatable Bonds: 4