6-cyclopropyl-3-[2-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one

C23H31N7O2 — CID 122339848

About 6-cyclopropyl-3-[2-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one

6-cyclopropyl-3-[2-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one (PubChem CID 122339848) has the molecular formula C23H31N7O2 and a molecular weight of 437.55 g/mol. Its IUPAC name is 6-cyclopropyl-3-[2-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-cyclopropyl-3-[2-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
• PubChem CID: 122339848
• Molecular Formula: C23H31N7O2
• Molecular Weight: 437.55 g/mol
• Exact Mass: 437.25
• IUPAC Name: 6-cyclopropyl-3-[2-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
• SMILES: Cc1cc(N2CCN(C(=O)Cn3cnc(C4CC4)cc3=O)CC2)nc(N2CCCCC2)n1
• InChI: InChI=1S/C23H31N7O2/c1-17-13-20(26-23(25-17)29-7-3-2-4-8-29)27-9-11-28(12-10-27)22(32)15-30-16-24-19(14-21(30)31)18-5-6-18/h13-14,16,18H,2-12,15H2,1H3
• InChIKey: VMMGEVGDVTZQJE-UHFFFAOYSA-N
• XLogP: 1.56
• TPSA: 87.46 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.55
LogP ≤ 5	1.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-[2-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one?

The IUPAC name of 6-cyclopropyl-3-[2-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one (CID 122339848) is 6-cyclopropyl-3-[2-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one.

What is the SMILES notation for 6-cyclopropyl-3-[2-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one?

The canonical SMILES for 6-cyclopropyl-3-[2-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one is Cc1cc(N2CCN(C(=O)Cn3cnc(C4CC4)cc3=O)CC2)nc(N2CCCCC2)n1.

What is the InChIKey of 6-cyclopropyl-3-[2-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one?

The InChIKey is VMMGEVGDVTZQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N7O2/c1-17-13-20(26-23(25-17)29-7-3-2-4-8-29)27-9-11-28(12-10-27)22(32)15-30-16-24-19(14-21(30)31)18-5-6-18/h13-14,16,18H,2-12,15H2,1H3.

What are the key properties of 6-cyclopropyl-3-[2-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one?

6-cyclopropyl-3-[2-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one has a molecular weight of 437.55 g/mol, XLogP of 1.56, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopropyl-3-[2-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one is sourced from PubChem (CID 122339848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).