1-[2-[4-[4-(2-butan-2-yloxyacetyl)piperazine-1-carbonyl]piperazin-1-yl]-2-oxoethoxy]butan-2-one;vanadium

C21H36N4O6V — CID 177357458

IUPAC1-[2-[4-[4-(2-butan-2-yloxyacetyl)piperazine-1-carbonyl]piperazin-1-yl]-2-oxoethoxy]butan-2-one;vanadium
SMILESCCC(=O)COCC(=O)N1CCN(C(=O)N2CCN(C(=O)COC(C)CC)CC2)CC1.[V]
InChIInChI=1S/C21H36N4O6.V/c1-4-17(3)31-16-20(28)23-8-12-25(13-9-23)21(29)24-10-6-22(7-11-24)19(27)15-30-14-18(26)5-2;/h17H,4-16H2,1-3H3;
InChIKeyYLZKGUZTFYEHGV-UHFFFAOYSA-N
MW491.49 g/mol
LogP0.20
Rot. Bonds9

About 1-[2-[4-[4-(2-butan-2-yloxyacetyl)piperazine-1-carbonyl]piperazin-1-yl]-2-oxoethoxy]butan-2-one;vanadium

1-[2-[4-[4-(2-butan-2-yloxyacetyl)piperazine-1-carbonyl]piperazin-1-yl]-2-oxoethoxy]butan-2-one;vanadium (PubChem CID 177357458) has the molecular formula C21H36N4O6V and a molecular weight of 491.49 g/mol. Its IUPAC name is 1-[2-[4-[4-(2-butan-2-yloxyacetyl)piperazine-1-carbonyl]piperazin-1-yl]-2-oxoethoxy]butan-2-one;vanadium.

Molecular Properties

Compound Name1-[2-[4-[4-(2-butan-2-yloxyacetyl)piperazine-1-carbonyl]piperazin-1-yl]-2-oxoethoxy]butan-2-one;vanadium
PubChem CID177357458
Molecular FormulaC21H36N4O6V
Molecular Weight491.49 g/mol
Exact Mass491.21
IUPAC Name1-[2-[4-[4-(2-butan-2-yloxyacetyl)piperazine-1-carbonyl]piperazin-1-yl]-2-oxoethoxy]butan-2-one;vanadium
SMILESCCC(=O)COCC(=O)N1CCN(C(=O)N2CCN(C(=O)COC(C)CC)CC2)CC1.[V]
InChIInChI=1S/C21H36N4O6.V/c1-4-17(3)31-16-20(28)23-8-12-25(13-9-23)21(29)24-10-6-22(7-11-24)19(27)15-30-14-18(26)5-2;/h17H,4-16H2,1-3H3;
InChIKeyYLZKGUZTFYEHGV-UHFFFAOYSA-N
XLogP0.20
TPSA99.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.49
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[2-[4-[4-(2-butan-2-yloxyacetyl)piperazine-1-carbonyl]piperazin-1-yl]-2-oxoethoxy]butan-2-one;vanadium 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-butan-2-yloxyacetyl)piperazine-1-carbonyl]piperazin-1-yl]-2-oxoethoxy]butan-2-one;vanadium?
The IUPAC name of 1-[2-[4-[4-(2-butan-2-yloxyacetyl)piperazine-1-carbonyl]piperazin-1-yl]-2-oxoethoxy]butan-2-one;vanadium (CID 177357458) is 1-[2-[4-[4-(2-butan-2-yloxyacetyl)piperazine-1-carbonyl]piperazin-1-yl]-2-oxoethoxy]butan-2-one;vanadium.
What is the SMILES notation for 1-[2-[4-[4-(2-butan-2-yloxyacetyl)piperazine-1-carbonyl]piperazin-1-yl]-2-oxoethoxy]butan-2-one;vanadium?
The canonical SMILES for 1-[2-[4-[4-(2-butan-2-yloxyacetyl)piperazine-1-carbonyl]piperazin-1-yl]-2-oxoethoxy]butan-2-one;vanadium is CCC(=O)COCC(=O)N1CCN(C(=O)N2CCN(C(=O)COC(C)CC)CC2)CC1.[V].
What is the InChIKey of 1-[2-[4-[4-(2-butan-2-yloxyacetyl)piperazine-1-carbonyl]piperazin-1-yl]-2-oxoethoxy]butan-2-one;vanadium?
The InChIKey is YLZKGUZTFYEHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N4O6.V/c1-4-17(3)31-16-20(28)23-8-12-25(13-9-23)21(29)24-10-6-22(7-11-24)19(27)15-30-14-18(26)5-2;/h17H,4-16H2,1-3H3;.
What are the key properties of 1-[2-[4-[4-(2-butan-2-yloxyacetyl)piperazine-1-carbonyl]piperazin-1-yl]-2-oxoethoxy]butan-2-one;vanadium?
1-[2-[4-[4-(2-butan-2-yloxyacetyl)piperazine-1-carbonyl]piperazin-1-yl]-2-oxoethoxy]butan-2-one;vanadium has a molecular weight of 491.49 g/mol, XLogP of 0.20, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[4-(2-butan-2-yloxyacetyl)piperazine-1-carbonyl]piperazin-1-yl]-2-oxoethoxy]butan-2-one;vanadium is sourced from PubChem (CID 177357458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).