3-(2-methylpiperidin-1-yl)-N-[2-(morpholin-4-ylmethyl)phenyl]azetidine-1-carboxamide

• ChemBase ID: 473126
• Molecular Formular: C21H32N4O2
• Molecular Mass: 372.50438
• Monoisotopic Mass: 372.25252628
• SMILES: N1(C(=O)Nc2c(CN3CCOCC3)cccc2)CC(N2C(C)CCCC2)C1
• Canonical SMILES: CC1CCCCN1C1CN(C1)C(=O)Nc1ccccc1CN1CCOCC1
• InChI: InChI=1S/C21H32N4O2/c1-17-6-4-5-9-25(17)19-15-24(16-19)21(26)22-20-8-3-2-7-18(20)14-23-10-12-27-13-11-23/h2-3,7-8,17,19H,4-6,9-16H2,1H3,(H,22,26)
• InChIKey: GLOHPFWGLQVXRR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-methylpiperidin-1-yl)-N-[2-(morpholin-4-ylmethyl)phenyl]azetidine-1-carboxamide
• IUPAC Traditional name: 3-(2-methylpiperidin-1-yl)-N-[2-(morpholin-4-ylmethyl)phenyl]azetidine-1-carboxamide
• Synonyms: 3-(2-methylpiperidin-1-yl)-N-[2-(morpholin-4-ylmethyl)phenyl]azetidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.942402
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.0318972
• LogD (pH = 7.4): 1.4853227
• Log P: 2.2214868
• Molar Refractivity: 109.2894 cm^3
• Polarizability: 41.838013 Å^3
• Polar Surface Area: 48.05 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.18
• LOG S: -2.92
• Polar Surface Area: 48.05 Å^2
• Rotatable Bonds: 4