N-[1-(methoxymethyl)cyclopentyl]-3-(piperidin-3-yl)benzamide

• ChemBase ID: 360529
• Molecular Formular: C19H28N2O2
• Molecular Mass: 316.43782
• Monoisotopic Mass: 316.21507815
• SMILES: C(=O)(NC1(COC)CCCC1)c1cc(C2CNCCC2)ccc1
• Canonical SMILES: COCC1(CCCC1)NC(=O)c1cccc(c1)C1CCCNC1
• InChI: InChI=1S/C19H28N2O2/c1-23-14-19(9-2-3-10-19)21-18(22)16-7-4-6-15(12-16)17-8-5-11-20-13-17/h4,6-7,12,17,20H,2-3,5,8-11,13-14H2,1H3,(H,21,22)
• InChIKey: MYHPVJJNYSRZNA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(methoxymethyl)cyclopentyl]-3-(piperidin-3-yl)benzamide
• IUPAC Traditional name: N-[1-(methoxymethyl)cyclopentyl]-3-(piperidin-3-yl)benzamide
• Synonyms: N-[1-(methoxymethyl)cyclopentyl]-3-piperidin-3-ylbenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.16892
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.75404775
• LogD (pH = 7.4): -0.011498462
• Log P: 2.462076
• Molar Refractivity: 92.7234 cm^3
• Polarizability: 35.939617 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.33
• LOG S: -3.5
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 5