1-[2-[4-[4-(2-hydroxyacetyl)piperazine-1-carbonyl]piperazin-1-yl]-2-oxoethoxy]propan-2-one

C16H26N4O6 — CID 177358053

About 1-[2-[4-[4-(2-hydroxyacetyl)piperazine-1-carbonyl]piperazin-1-yl]-2-oxoethoxy]propan-2-one

1-[2-[4-[4-(2-hydroxyacetyl)piperazine-1-carbonyl]piperazin-1-yl]-2-oxoethoxy]propan-2-one (PubChem CID 177358053) has the molecular formula C16H26N4O6 and a molecular weight of 370.41 g/mol. Its IUPAC name is 1-[2-[4-[4-(2-hydroxyacetyl)piperazine-1-carbonyl]piperazin-1-yl]-2-oxoethoxy]propan-2-one.

Molecular Properties

• Compound Name: 1-[2-[4-[4-(2-hydroxyacetyl)piperazine-1-carbonyl]piperazin-1-yl]-2-oxoethoxy]propan-2-one
• PubChem CID: 177358053
• Molecular Formula: C16H26N4O6
• Molecular Weight: 370.41 g/mol
• Exact Mass: 370.19
• IUPAC Name: 1-[2-[4-[4-(2-hydroxyacetyl)piperazine-1-carbonyl]piperazin-1-yl]-2-oxoethoxy]propan-2-one
• SMILES: CC(=O)COCC(=O)N1CCN(C(=O)N2CCN(C(=O)CO)CC2)CC1
• InChI: InChI=1S/C16H26N4O6/c1-13(22)11-26-12-15(24)18-4-8-20(9-5-18)16(25)19-6-2-17(3-7-19)14(23)10-21/h21H,2-12H2,1H3
• InChIKey: VFRGDEAMZSUFJU-UHFFFAOYSA-N
• XLogP: -2.01
• TPSA: 110.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.41
LogP ≤ 5	-2.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[4-(2-hydroxyacetyl)piperazine-1-carbonyl]piperazin-1-yl]-2-oxoethoxy]propan-2-one?

The IUPAC name of 1-[2-[4-[4-(2-hydroxyacetyl)piperazine-1-carbonyl]piperazin-1-yl]-2-oxoethoxy]propan-2-one (CID 177358053) is 1-[2-[4-[4-(2-hydroxyacetyl)piperazine-1-carbonyl]piperazin-1-yl]-2-oxoethoxy]propan-2-one.

What is the SMILES notation for 1-[2-[4-[4-(2-hydroxyacetyl)piperazine-1-carbonyl]piperazin-1-yl]-2-oxoethoxy]propan-2-one?

The canonical SMILES for 1-[2-[4-[4-(2-hydroxyacetyl)piperazine-1-carbonyl]piperazin-1-yl]-2-oxoethoxy]propan-2-one is CC(=O)COCC(=O)N1CCN(C(=O)N2CCN(C(=O)CO)CC2)CC1.

What is the InChIKey of 1-[2-[4-[4-(2-hydroxyacetyl)piperazine-1-carbonyl]piperazin-1-yl]-2-oxoethoxy]propan-2-one?

The InChIKey is VFRGDEAMZSUFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O6/c1-13(22)11-26-12-15(24)18-4-8-20(9-5-18)16(25)19-6-2-17(3-7-19)14(23)10-21/h21H,2-12H2,1H3.

What are the key properties of 1-[2-[4-[4-(2-hydroxyacetyl)piperazine-1-carbonyl]piperazin-1-yl]-2-oxoethoxy]propan-2-one?

1-[2-[4-[4-(2-hydroxyacetyl)piperazine-1-carbonyl]piperazin-1-yl]-2-oxoethoxy]propan-2-one has a molecular weight of 370.41 g/mol, XLogP of -2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[4-[4-(2-hydroxyacetyl)piperazine-1-carbonyl]piperazin-1-yl]-2-oxoethoxy]propan-2-one is sourced from PubChem (CID 177358053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).