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

• ChemBase ID: 357625
• Molecular Formular: C30H37N3O3
• Molecular Mass: 487.63308
• Monoisotopic Mass: 487.28349206
• SMILES: N1(C[C@@H]([C@H](N2CCOCC2)CC1)CCC(=O)Nc1cc(OC)ccc1)Cc1c2c(ccc1)cccc2
• Canonical SMILES: COc1cccc(c1)NC(=O)CC[C@H]1CN(CC[C@H]1N1CCOCC1)Cc1cccc2c1cccc2
• InChI: InChI=1S/C30H37N3O3/c1-35-27-10-5-9-26(20-27)31-30(34)13-12-25-22-32(15-14-29(25)33-16-18-36-19-17-33)21-24-8-4-7-23-6-2-3-11-28(23)24/h2-11,20,25,29H,12-19,21-22H2,1H3,(H,31,34)/t25-,29+/m0/s1
• InChIKey: NGCTYTVPLQTVSV-ABYGYWHVSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.785115
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.045304183
• LogD (pH = 7.4): 1.7353672
• Log P: 4.037275
• Molar Refractivity: 145.6008 cm^3
• Polarizability: 57.4097 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: -3.35
• Polar Surface Area: 54.04 Å^2
• Rotatable Bonds: 7