1-(4-propan-2-ylpiperazin-1-yl)-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propan-1-one

C22H38N6O — CID 53188592

About 1-(4-propan-2-ylpiperazin-1-yl)-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propan-1-one

1-(4-propan-2-ylpiperazin-1-yl)-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propan-1-one (PubChem CID 53188592) has the molecular formula C22H38N6O and a molecular weight of 402.59 g/mol. Its IUPAC name is 1-(4-propan-2-ylpiperazin-1-yl)-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propan-1-one.

Molecular Properties

• Compound Name: 1-(4-propan-2-ylpiperazin-1-yl)-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propan-1-one
• PubChem CID: 53188592
• Molecular Formula: C22H38N6O
• Molecular Weight: 402.59 g/mol
• Exact Mass: 402.31
• IUPAC Name: 1-(4-propan-2-ylpiperazin-1-yl)-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propan-1-one
• SMILES: CCCNc1cc(N2CCC(CCC(=O)N3CCN(C(C)C)CC3)CC2)ncn1
• InChI: InChI=1S/C22H38N6O/c1-4-9-23-20-16-21(25-17-24-20)27-10-7-19(8-11-27)5-6-22(29)28-14-12-26(13-15-28)18(2)3/h16-19H,4-15H2,1-3H3,(H,23,24,25)
• InChIKey: GPJZIKAKWRGWIW-UHFFFAOYSA-N
• XLogP: 2.85
• TPSA: 64.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.59
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylpiperazin-1-yl)-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propan-1-one?

The IUPAC name of 1-(4-propan-2-ylpiperazin-1-yl)-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propan-1-one (CID 53188592) is 1-(4-propan-2-ylpiperazin-1-yl)-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propan-1-one.

What is the SMILES notation for 1-(4-propan-2-ylpiperazin-1-yl)-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propan-1-one?

The canonical SMILES for 1-(4-propan-2-ylpiperazin-1-yl)-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propan-1-one is CCCNc1cc(N2CCC(CCC(=O)N3CCN(C(C)C)CC3)CC2)ncn1.

What is the InChIKey of 1-(4-propan-2-ylpiperazin-1-yl)-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propan-1-one?

The InChIKey is GPJZIKAKWRGWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N6O/c1-4-9-23-20-16-21(25-17-24-20)27-10-7-19(8-11-27)5-6-22(29)28-14-12-26(13-15-28)18(2)3/h16-19H,4-15H2,1-3H3,(H,23,24,25).

What are the key properties of 1-(4-propan-2-ylpiperazin-1-yl)-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propan-1-one?

1-(4-propan-2-ylpiperazin-1-yl)-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propan-1-one has a molecular weight of 402.59 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-propan-2-ylpiperazin-1-yl)-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propan-1-one is sourced from PubChem (CID 53188592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).