1-[3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]cyclopropane-1-carboxamide

• ChemBase ID: 840485
• Molecular Formular: C14H24N2O3
• Molecular Mass: 268.35196
• Monoisotopic Mass: 268.17869264
• SMILES: C1(C(=O)N2CC(CO)(CCC2)CCC)(CC1)C(=O)N
• Canonical SMILES: CCCC1(CO)CCCN(C1)C(=O)C1(CC1)C(=O)N
• InChI: InChI=1S/C14H24N2O3/c1-2-4-13(10-17)5-3-8-16(9-13)12(19)14(6-7-14)11(15)18/h17H,2-10H2,1H3,(H2,15,18)
• InChIKey: URTOWGBVIOYQQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]cyclopropane-1-carboxamide
• IUPAC Traditional name: 1-[3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]cyclopropane-1-carboxamide
• Synonyms: 1-{[3-(hydroxymethyl)-3-propyl-1-piperidinyl]carbonyl}cyclopropanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.039651
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.3393303
• LogD (pH = 7.4): 0.3393303
• Log P: 0.3393303
• Molar Refractivity: 71.6873 cm^3
• Polarizability: 28.128487 Å^3
• Polar Surface Area: 83.63 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: -0.35
• LOG S: -2.17
• Polar Surface Area: 83.63 Å^2
• Rotatable Bonds: 5