N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(3-methylpiperidin-1-yl)propanamide

• ChemBase ID: 699585
• Molecular Formular: C15H25N3OS
• Molecular Mass: 295.4435
• Monoisotopic Mass: 295.17183344
• SMILES: n1c(csc1C)CN(C(=O)CCN1CC(CCC1)C)C
• Canonical SMILES: CC1CCCN(C1)CCC(=O)N(Cc1csc(n1)C)C
• InChI: InChI=1S/C15H25N3OS/c1-12-5-4-7-18(9-12)8-6-15(19)17(3)10-14-11-20-13(2)16-14/h11-12H,4-10H2,1-3H3
• InChIKey: ZCYFMGXYZYZSLF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(3-methylpiperidin-1-yl)propanamide
• IUPAC Traditional name: N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(3-methylpiperidin-1-yl)propanamide
• Synonyms: N-methyl-3-(3-methyl-1-piperidinyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.067249
• LogD (pH = 7.4): -0.8895479
• Log P: 1.3487165
• Molar Refractivity: 82.7408 cm^3
• Polarizability: 32.127045 Å^3
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.08
• LOG S: -1.76
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 5