1-(furan-2-ylmethyl)-N-[2-(1H-indol-1-yl)ethyl]-N-methylpiperidine-3-carboxamide

• ChemBase ID: 468722
• Molecular Formular: C22H27N3O2
• Molecular Mass: 365.46868
• Monoisotopic Mass: 365.21032712
• SMILES: C(=O)(C1CN(Cc2occc2)CCC1)N(CCn1ccc2c1cccc2)C
• Canonical SMILES: O=C(C1CCCN(C1)Cc1ccco1)N(CCn1ccc2c1cccc2)C
• InChI: InChI=1S/C22H27N3O2/c1-23(13-14-25-12-10-18-6-2-3-9-21(18)25)22(26)19-7-4-11-24(16-19)17-20-8-5-15-27-20/h2-3,5-6,8-10,12,15,19H,4,7,11,13-14,16-17H2,1H3
• InChIKey: WHICMOYLODKPNA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(furan-2-ylmethyl)-N-[2-(1H-indol-1-yl)ethyl]-N-methylpiperidine-3-carboxamide
• IUPAC Traditional name: 1-(furan-2-ylmethyl)-N-[2-(indol-1-yl)ethyl]-N-methylpiperidine-3-carboxamide
• Synonyms: 1-(2-furylmethyl)-N-[2-(1H-indol-1-yl)ethyl]-N-methyl-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.0018060554
• LogD (pH = 7.4): 1.7241706
• Log P: 2.9684758
• Molar Refractivity: 106.9073 cm^3
• Polarizability: 42.42631 Å^3
• Polar Surface Area: 41.62 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.02
• LOG S: -4.44
• Polar Surface Area: 41.62 Å^2
• Rotatable Bonds: 6