N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]-3-(thiophen-3-yl)propanamide

• ChemBase ID: 573635
• Molecular Formular: C22H30N2OS
• Molecular Mass: 370.5514
• Monoisotopic Mass: 370.20788459
• SMILES: N(C(=O)CCc1cscc1)(C1CN(CCCc2ccccc2)CCC1)C
• Canonical SMILES: O=C(N(C1CCCN(C1)CCCc1ccccc1)C)CCc1cscc1
• InChI: InChI=1S/C22H30N2OS/c1-23(22(25)12-11-20-13-16-26-18-20)21-10-6-15-24(17-21)14-5-9-19-7-3-2-4-8-19/h2-4,7-8,13,16,18,21H,5-6,9-12,14-15,17H2,1H3
• InChIKey: BSWOHASPHHLPMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]-3-(thiophen-3-yl)propanamide
• IUPAC Traditional name: N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]-3-(thiophen-3-yl)propanamide
• Synonyms: N-methyl-N-[1-(3-phenylpropyl)-3-piperidinyl]-3-(3-thienyl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.2917581
• LogD (pH = 7.4): 2.9434168
• Log P: 4.4183264
• Molar Refractivity: 109.8869 cm^3
• Polarizability: 42.607594 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 4.58
• LOG S: -4.3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 8