N,N-dimethyl-2-[3-(naphthalene-2-carbonyl)piperidine-1-carbonyl]aniline

• ChemBase ID: 313249
• Molecular Formular: C25H26N2O2
• Molecular Mass: 386.48614
• Monoisotopic Mass: 386.19942808
• SMILES: C(=O)(c1c(N(C)C)cccc1)N1CC(C(=O)c2cc3c(cc2)cccc3)CCC1
• Canonical SMILES: O=C(c1ccc2c(c1)cccc2)C1CCCN(C1)C(=O)c1ccccc1N(C)C
• InChI: InChI=1S/C25H26N2O2/c1-26(2)23-12-6-5-11-22(23)25(29)27-15-7-10-21(17-27)24(28)20-14-13-18-8-3-4-9-19(18)16-20/h3-6,8-9,11-14,16,21H,7,10,15,17H2,1-2H3
• InChIKey: XFTGZOIRMLTALR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-2-[3-(naphthalene-2-carbonyl)piperidine-1-carbonyl]aniline
• IUPAC Traditional name: N,N-dimethyl-2-[3-(naphthalene-2-carbonyl)piperidine-1-carbonyl]aniline
• Synonyms: {1-[2-(dimethylamino)benzoyl]-3-piperidinyl}(2-naphthyl)methanone

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.314077
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.3516808
• LogD (pH = 7.4): 4.3520117
• Log P: 4.352016
• Molar Refractivity: 117.8536 cm^3
• Polarizability: 45.4994 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 4.61
• LOG S: -5.47
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 3