N-{[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl}-1-methyl-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide

• ChemBase ID: 540194
• Molecular Formular: C30H35N3O3
• Molecular Mass: 485.6172
• Monoisotopic Mass: 485.267842
• SMILES: C(=O)(N(Cc1cc(c(OC2Cc3c(C2)cccc3)cc1)OC)Cc1ccncc1)C1N(C)CCCC1
• Canonical SMILES: COc1cc(ccc1OC1Cc2c(C1)cccc2)CN(C(=O)C1CCCCN1C)Cc1ccncc1
• InChI: InChI=1S/C30H35N3O3/c1-32-16-6-5-9-27(32)30(34)33(20-22-12-14-31-15-13-22)21-23-10-11-28(29(17-23)35-2)36-26-18-24-7-3-4-8-25(24)19-26/h3-4,7-8,10-15,17,26-27H,5-6,9,16,18-21H2,1-2H3
• InChIKey: WBRFOKOTDJENMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl}-1-methyl-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide
• IUPAC Traditional name: N-{[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl}-1-methyl-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide
• Synonyms: N-[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxybenzyl]-1-methyl-N-(4-pyridinylmethyl)-2-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.1424584
• LogD (pH = 7.4): 3.9256501
• Log P: 4.3996058
• Molar Refractivity: 141.9177 cm^3
• Polarizability: 55.03198 Å^3
• Polar Surface Area: 54.9 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 4.28
• LOG S: -4.01
• Polar Surface Area: 54.9 Å^2
• Rotatable Bonds: 7