N-(4-methoxyphenyl)-3-[(3S,4R)-4-(morpholin-4-yl)-1-(naphthalen-1-ylmethyl)piperidin-3-yl]propanamide

• ChemBase ID: 374658
• Molecular Formular: C30H37N3O3
• Molecular Mass: 487.63308
• Monoisotopic Mass: 487.28349206
• SMILES: N1(C[C@@H]([C@H](N2CCOCC2)CC1)CCC(=O)Nc1ccc(cc1)OC)Cc1c2c(ccc1)cccc2
• Canonical SMILES: COc1ccc(cc1)NC(=O)CC[C@H]1CN(CC[C@H]1N1CCOCC1)Cc1cccc2c1cccc2
• InChI: InChI=1S/C30H37N3O3/c1-35-27-12-10-26(11-13-27)31-30(34)14-9-25-22-32(16-15-29(25)33-17-19-36-20-18-33)21-24-7-4-6-23-5-2-3-8-28(23)24/h2-8,10-13,25,29H,9,14-22H2,1H3,(H,31,34)/t25-,29+/m0/s1
• InChIKey: VOJTVZTYISGSCR-ABYGYWHVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-methoxyphenyl)-3-[(3S,4R)-4-(morpholin-4-yl)-1-(naphthalen-1-ylmethyl)piperidin-3-yl]propanamide
• IUPAC Traditional name: N-(4-methoxyphenyl)-3-[(3S,4R)-4-(morpholin-4-yl)-1-(naphthalen-1-ylmethyl)piperidin-3-yl]propanamide
• Synonyms: N-(4-methoxyphenyl)-3-[(3S*,4R*)-4-(4-morpholinyl)-1-(1-naphthylmethyl)-3-piperidinyl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.78966
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.045304287
• LogD (pH = 7.4): 1.7353668
• Log P: 4.037275
• Molar Refractivity: 145.6008 cm^3
• Polarizability: 57.408913 Å^3
• Polar Surface Area: 54.04 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 4.17
• LOG S: -3.34
• Polar Surface Area: 54.04 Å^2
• Rotatable Bonds: 7