1-cyclopentyl-N-[3-(1H-1,2,3-triazol-1-yl)propyl]piperidine-3-carboxamide

• ChemBase ID: 532011
• Molecular Formular: C16H27N5O
• Molecular Mass: 305.41848
• Monoisotopic Mass: 305.22156051
• SMILES: n1nccn1CCCNC(=O)C1CN(C2CCCC2)CCC1
• Canonical SMILES: O=C(C1CCCN(C1)C1CCCC1)NCCCn1nncc1
• InChI: InChI=1S/C16H27N5O/c22-16(17-8-4-11-21-12-9-18-19-21)14-5-3-10-20(13-14)15-6-1-2-7-15/h9,12,14-15H,1-8,10-11,13H2,(H,17,22)
• InChIKey: SWJLNJAEJKEOPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopentyl-N-[3-(1H-1,2,3-triazol-1-yl)propyl]piperidine-3-carboxamide
• IUPAC Traditional name: 1-cyclopentyl-N-[3-(1,2,3-triazol-1-yl)propyl]piperidine-3-carboxamide
• Synonyms: 1-cyclopentyl-N-[3-(1H-1,2,3-triazol-1-yl)propyl]-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.663398
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.3740015
• LogD (pH = 7.4): -1.6025593
• Log P: 1.0992877
• Molar Refractivity: 97.5629 cm^3
• Polarizability: 33.323895 Å^3
• Polar Surface Area: 63.05 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.01
• LOG S: -2.29
• Polar Surface Area: 63.05 Å^2
• Rotatable Bonds: 6