3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one

C24H33FN6O — CID 53188551

About 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one

3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one (PubChem CID 53188551) has the molecular formula C24H33FN6O and a molecular weight of 440.57 g/mol. Its IUPAC name is 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
• PubChem CID: 53188551
• Molecular Formula: C24H33FN6O
• Molecular Weight: 440.57 g/mol
• Exact Mass: 440.27
• IUPAC Name: 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
• SMILES: CCNc1cc(N2CCC(CCC(=O)N3CCN(c4ccc(F)cc4)CC3)CC2)ncn1
• InChI: InChI=1S/C24H33FN6O/c1-2-26-22-17-23(28-18-27-22)30-11-9-19(10-12-30)3-8-24(32)31-15-13-29(14-16-31)21-6-4-20(25)5-7-21/h4-7,17-19H,2-3,8-16H2,1H3,(H,26,27,28)
• InChIKey: DDMJDHZSDCREQC-UHFFFAOYSA-N
• XLogP: 3.39
• TPSA: 64.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.57
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?

The IUPAC name of 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one (CID 53188551) is 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one.

What is the SMILES notation for 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?

The canonical SMILES for 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one is CCNc1cc(N2CCC(CCC(=O)N3CCN(c4ccc(F)cc4)CC3)CC2)ncn1.

What is the InChIKey of 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?

The InChIKey is DDMJDHZSDCREQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33FN6O/c1-2-26-22-17-23(28-18-27-22)30-11-9-19(10-12-30)3-8-24(32)31-15-13-29(14-16-31)21-6-4-20(25)5-7-21/h4-7,17-19H,2-3,8-16H2,1H3,(H,26,27,28).

What are the key properties of 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?

3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one has a molecular weight of 440.57 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 53188551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).