(2-oxo-2-piperidin-1-ylethyl) 4-ethyl-6-(3-methylphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate

C21H27N3O4 — CID 91356365

About (2-oxo-2-piperidin-1-ylethyl) 4-ethyl-6-(3-methylphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate

(2-oxo-2-piperidin-1-ylethyl) 4-ethyl-6-(3-methylphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 91356365) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is (2-oxo-2-piperidin-1-ylethyl) 4-ethyl-6-(3-methylphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

• Compound Name: (2-oxo-2-piperidin-1-ylethyl) 4-ethyl-6-(3-methylphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
• PubChem CID: 91356365
• Molecular Formula: C21H27N3O4
• Molecular Weight: 385.46 g/mol
• Exact Mass: 385.20
• IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) 4-ethyl-6-(3-methylphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
• SMILES: CCC1=NC(=O)NC(c2cccc(C)c2)C1C(=O)OCC(=O)N1CCCCC1
• InChI: InChI=1S/C21H27N3O4/c1-3-16-18(20(26)28-13-17(25)24-10-5-4-6-11-24)19(23-21(27)22-16)15-9-7-8-14(2)12-15/h7-9,12,18-19H,3-6,10-11,13H2,1-2H3,(H,23,27)
• InChIKey: YFYKAEAFDOWBIK-UHFFFAOYSA-N
• XLogP: 2.78
• TPSA: 88.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.46
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 4-ethyl-6-(3-methylphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate?

The IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 4-ethyl-6-(3-methylphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate (CID 91356365) is (2-oxo-2-piperidin-1-ylethyl) 4-ethyl-6-(3-methylphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate.

What is the SMILES notation for (2-oxo-2-piperidin-1-ylethyl) 4-ethyl-6-(3-methylphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate?

The canonical SMILES for (2-oxo-2-piperidin-1-ylethyl) 4-ethyl-6-(3-methylphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate is CCC1=NC(=O)NC(c2cccc(C)c2)C1C(=O)OCC(=O)N1CCCCC1.

What is the InChIKey of (2-oxo-2-piperidin-1-ylethyl) 4-ethyl-6-(3-methylphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate?

The InChIKey is YFYKAEAFDOWBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-3-16-18(20(26)28-13-17(25)24-10-5-4-6-11-24)19(23-21(27)22-16)15-9-7-8-14(2)12-15/h7-9,12,18-19H,3-6,10-11,13H2,1-2H3,(H,23,27).

What are the key properties of (2-oxo-2-piperidin-1-ylethyl) 4-ethyl-6-(3-methylphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate?

(2-oxo-2-piperidin-1-ylethyl) 4-ethyl-6-(3-methylphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 385.46 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2-oxo-2-piperidin-1-ylethyl) 4-ethyl-6-(3-methylphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 91356365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).