N-[(1-cyclopentylpiperidin-3-yl)methyl]-5-methyl-N-[2-(piperidin-1-yl)ethyl]thiophene-2-carboxamide

• ChemBase ID: 694537
• Molecular Formular: C24H39N3OS
• Molecular Mass: 417.65096
• Monoisotopic Mass: 417.28138388
• SMILES: c1(C(=O)N(CC2CN(C3CCCC3)CCC2)CCN2CCCCC2)sc(cc1)C
• Canonical SMILES: Cc1ccc(s1)C(=O)N(CC1CCCN(C1)C1CCCC1)CCN1CCCCC1
• InChI: InChI=1S/C24H39N3OS/c1-20-11-12-23(29-20)24(28)27(17-16-25-13-5-2-6-14-25)19-21-8-7-15-26(18-21)22-9-3-4-10-22/h11-12,21-22H,2-10,13-19H2,1H3
• InChIKey: GTQXIOWLGLBUQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-cyclopentylpiperidin-3-yl)methyl]-5-methyl-N-[2-(piperidin-1-yl)ethyl]thiophene-2-carboxamide
• IUPAC Traditional name: N-[(1-cyclopentylpiperidin-3-yl)methyl]-5-methyl-N-[2-(piperidin-1-yl)ethyl]thiophene-2-carboxamide
• Synonyms: N-[(1-cyclopentyl-3-piperidinyl)methyl]-5-methyl-N-[2-(1-piperidinyl)ethyl]-2-thiophenecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.2285612
• LogD (pH = 7.4): 1.6388907
• Log P: 4.5826564
• Molar Refractivity: 123.6206 cm^3
• Polarizability: 47.604546 Å^3
• Polar Surface Area: 26.79 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.61
• LOG S: -3.15
• Polar Surface Area: 26.79 Å^2
• Rotatable Bonds: 7