2-[3-(3-methoxypropyl)piperidine-1-carbonyl]thiophen-3-amine

• ChemBase ID: 680484
• Molecular Formular: C14H22N2O2S
• Molecular Mass: 282.40168
• Monoisotopic Mass: 282.14019895
• SMILES: c1(C(=O)N2CC(CCC2)CCCOC)c(ccs1)N
• Canonical SMILES: COCCCC1CCCN(C1)C(=O)c1sccc1N
• InChI: InChI=1S/C14H22N2O2S/c1-18-8-3-5-11-4-2-7-16(10-11)14(17)13-12(15)6-9-19-13/h6,9,11H,2-5,7-8,10,15H2,1H3
• InChIKey: SNPPAAZXHBNJFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[3-(3-methoxypropyl)piperidine-1-carbonyl]thiophen-3-amine
• IUPAC Traditional name: 2-[3-(3-methoxypropyl)piperidine-1-carbonyl]thiophen-3-amine
• Synonyms: (2-{[3-(3-methoxypropyl)-1-piperidinyl]carbonyl}-3-thienyl)amine

CALCULATED PROPERTIES

JChem

• LogD (pH = 5.5): 2.3161178
• LogD (pH = 7.4): 2.3161178
• Log P: 2.3161178
• Molar Refractivity: 79.0156 cm^3
• Polarizability: 29.510479 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 1

供应商提供(Chembridge)

• Log P: 1.7
• LOG S: -2.71
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 5
• H Acceptors: 2
• H Donor: 1