4-[1-(3-methoxypropanoyl)piperidin-3-yl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]-1H-pyrimidin-6-one

C22H34N4O4 — CID 136797281

About 4-[1-(3-methoxypropanoyl)piperidin-3-yl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]-1H-pyrimidin-6-one

4-[1-(3-methoxypropanoyl)piperidin-3-yl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]-1H-pyrimidin-6-one (PubChem CID 136797281) has the molecular formula C22H34N4O4 and a molecular weight of 418.54 g/mol. Its IUPAC name is 4-[1-(3-methoxypropanoyl)piperidin-3-yl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]-1H-pyrimidin-6-one.

Molecular Properties

• Compound Name: 4-[1-(3-methoxypropanoyl)piperidin-3-yl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]-1H-pyrimidin-6-one
• PubChem CID: 136797281
• Molecular Formula: C22H34N4O4
• Molecular Weight: 418.54 g/mol
• Exact Mass: 418.26
• IUPAC Name: 4-[1-(3-methoxypropanoyl)piperidin-3-yl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]-1H-pyrimidin-6-one
• SMILES: COCCC(=O)N1CCCC(c2cc(=O)[nH]c(C3CCN(C(=O)C(C)C)CC3)n2)C1
• InChI: InChI=1S/C22H34N4O4/c1-15(2)22(29)25-10-6-16(7-11-25)21-23-18(13-19(27)24-21)17-5-4-9-26(14-17)20(28)8-12-30-3/h13,15-17H,4-12,14H2,1-3H3,(H,23,24,27)
• InChIKey: ZAWBSOYXPGAOKX-UHFFFAOYSA-N
• XLogP: 1.87
• TPSA: 95.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.54
LogP ≤ 5	1.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-methoxypropanoyl)piperidin-3-yl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]-1H-pyrimidin-6-one?

The IUPAC name of 4-[1-(3-methoxypropanoyl)piperidin-3-yl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]-1H-pyrimidin-6-one (CID 136797281) is 4-[1-(3-methoxypropanoyl)piperidin-3-yl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]-1H-pyrimidin-6-one.

What is the SMILES notation for 4-[1-(3-methoxypropanoyl)piperidin-3-yl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]-1H-pyrimidin-6-one?

The canonical SMILES for 4-[1-(3-methoxypropanoyl)piperidin-3-yl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]-1H-pyrimidin-6-one is COCCC(=O)N1CCCC(c2cc(=O)[nH]c(C3CCN(C(=O)C(C)C)CC3)n2)C1.

What is the InChIKey of 4-[1-(3-methoxypropanoyl)piperidin-3-yl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]-1H-pyrimidin-6-one?

The InChIKey is ZAWBSOYXPGAOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O4/c1-15(2)22(29)25-10-6-16(7-11-25)21-23-18(13-19(27)24-21)17-5-4-9-26(14-17)20(28)8-12-30-3/h13,15-17H,4-12,14H2,1-3H3,(H,23,24,27).

What are the key properties of 4-[1-(3-methoxypropanoyl)piperidin-3-yl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]-1H-pyrimidin-6-one?

4-[1-(3-methoxypropanoyl)piperidin-3-yl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]-1H-pyrimidin-6-one has a molecular weight of 418.54 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-(3-methoxypropanoyl)piperidin-3-yl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136797281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).