2-(cyclohex-1-en-1-yl)-N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]acetamide

• ChemBase ID: 853972
• Molecular Formular: C19H27N3O
• Molecular Mass: 313.43718
• Monoisotopic Mass: 313.2154125
• SMILES: N1(CC(NC(=O)CC2=CCCCC2)CCC1)Cc1ncccc1
• Canonical SMILES: O=C(CC1=CCCCC1)NC1CCCN(C1)Cc1ccccn1
• InChI: InChI=1S/C19H27N3O/c23-19(13-16-7-2-1-3-8-16)21-18-10-6-12-22(15-18)14-17-9-4-5-11-20-17/h4-5,7,9,11,18H,1-3,6,8,10,12-15H2,(H,21,23)
• InChIKey: XNNRBXBAMQTSOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(cyclohex-1-en-1-yl)-N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]acetamide
• IUPAC Traditional name: 2-(cyclohex-1-en-1-yl)-N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]acetamide
• Synonyms: 2-(1-cyclohexen-1-yl)-N-[1-(2-pyridinylmethyl)-3-piperidinyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.610147
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.83570564
• LogD (pH = 7.4): 2.0632436
• Log P: 2.1623936
• Molar Refractivity: 93.1537 cm^3
• Polarizability: 36.252415 Å^3
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.72
• LOG S: -3.34
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 5