N,N-dimethyl-3-[6-methyl-2-(piperidin-4-yl)pyrimidin-4-yl]propanamide

• ChemBase ID: 62790
• Molecular Formular: C15H24N4O
• Molecular Mass: 276.37726
• Monoisotopic Mass: 276.19501141
• SMILES: c1(nc(cc(n1)C)CCC(=O)N(C)C)C1CCNCC1
• Canonical SMILES: O=C(N(C)C)CCc1cc(C)nc(n1)C1CCNCC1
• InChI: InChI=1S/C15H24N4O/c1-11-10-13(4-5-14(20)19(2)3)18-15(17-11)12-6-8-16-9-7-12/h10,12,16H,4-9H2,1-3H3
• InChIKey: SWUHQSAIMXQINS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-3-[6-methyl-2-(piperidin-4-yl)pyrimidin-4-yl]propanamide
• IUPAC Traditional name: N,N-dimethyl-3-[6-methyl-2-(piperidin-4-yl)pyrimidin-4-yl]propanamide
• Synonyms: N,N-Dimethyl-3-(6-methyl-2-piperidin-4-yl-pyrimidin-4-yl)-propionamide

Database IDs

• MDL Number: MFCD18381618
• PubChem SID: 162028529
• PubChem CID: 66509964

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.8817346
• LogD (pH = 7.4): -1.9810398
• Log P: 0.4469052
• Molar Refractivity: 79.4702 cm^3
• Polarizability: 30.644701 Å^3
• Polar Surface Area: 58.12 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false