N-[(1-cyclohexylpiperidin-3-yl)methyl]naphthalene-1-carboxamide

• ChemBase ID: 400995
• Molecular Formular: C23H30N2O
• Molecular Mass: 350.4971
• Monoisotopic Mass: 350.23581359
• SMILES: N1(CC(CNC(=O)c2c3c(ccc2)cccc3)CCC1)C1CCCCC1
• Canonical SMILES: O=C(c1cccc2c1cccc2)NCC1CCCN(C1)C1CCCCC1
• InChI: InChI=1S/C23H30N2O/c26-23(22-14-6-10-19-9-4-5-13-21(19)22)24-16-18-8-7-15-25(17-18)20-11-2-1-3-12-20/h4-6,9-10,13-14,18,20H,1-3,7-8,11-12,15-17H2,(H,24,26)
• InChIKey: TZKSYCGPKYQAPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-cyclohexylpiperidin-3-yl)methyl]naphthalene-1-carboxamide
• IUPAC Traditional name: N-[(1-cyclohexylpiperidin-3-yl)methyl]naphthalene-1-carboxamide
• Synonyms: N-[(1-cyclohexyl-3-piperidinyl)methyl]-1-naphthamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.402777
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.89712185
• LogD (pH = 7.4): 1.7275827
• Log P: 4.365273
• Molar Refractivity: 107.6678 cm^3
• Polarizability: 42.911663 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 4.48
• LOG S: -5.13
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 4