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

C16H26N4O6 — CID 177358053

IUPAC1-[2-[4-[4-(2-hydroxyacetyl)piperazine-1-carbonyl]piperazin-1-yl]-2-oxoethoxy]propan-2-one
SMILESCC(=O)COCC(=O)N1CCN(C(=O)N2CCN(C(=O)CO)CC2)CC1
InChIInChI=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
InChIKeyVFRGDEAMZSUFJU-UHFFFAOYSA-N
MW370.41 g/mol
LogP-2.01
Rot. Bonds5

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 Name1-[2-[4-[4-(2-hydroxyacetyl)piperazine-1-carbonyl]piperazin-1-yl]-2-oxoethoxy]propan-2-one
PubChem CID177358053
Molecular FormulaC16H26N4O6
Molecular Weight370.41 g/mol
Exact Mass370.19
IUPAC Name1-[2-[4-[4-(2-hydroxyacetyl)piperazine-1-carbonyl]piperazin-1-yl]-2-oxoethoxy]propan-2-one
SMILESCC(=O)COCC(=O)N1CCN(C(=O)N2CCN(C(=O)CO)CC2)CC1
InChIInChI=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
InChIKeyVFRGDEAMZSUFJU-UHFFFAOYSA-N
XLogP-2.01
TPSA110.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 5-2.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).