4-(2-butan-2-yloxyacetyl)-6-methylpiperazin-2-one

C11H20N2O3 — CID 136546640

IUPAC4-(2-butan-2-yloxyacetyl)-6-methylpiperazin-2-one
SMILESCCC(C)OCC(=O)N1CC(=O)NC(C)C1
InChIInChI=1S/C11H20N2O3/c1-4-9(3)16-7-11(15)13-5-8(2)12-10(14)6-13/h8-9H,4-7H2,1-3H3,(H,12,14)
InChIKeyWSSLUJFVUKBEIR-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.15
Rot. Bonds4

About 4-(2-butan-2-yloxyacetyl)-6-methylpiperazin-2-one

4-(2-butan-2-yloxyacetyl)-6-methylpiperazin-2-one (PubChem CID 136546640) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 4-(2-butan-2-yloxyacetyl)-6-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-butan-2-yloxyacetyl)-6-methylpiperazin-2-one
PubChem CID136546640
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name4-(2-butan-2-yloxyacetyl)-6-methylpiperazin-2-one
SMILESCCC(C)OCC(=O)N1CC(=O)NC(C)C1
InChIInChI=1S/C11H20N2O3/c1-4-9(3)16-7-11(15)13-5-8(2)12-10(14)6-13/h8-9H,4-7H2,1-3H3,(H,12,14)
InChIKeyWSSLUJFVUKBEIR-UHFFFAOYSA-N
XLogP0.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-butan-2-yloxyacetyl)-6-methylpiperazin-2-one?
The IUPAC name of 4-(2-butan-2-yloxyacetyl)-6-methylpiperazin-2-one (CID 136546640) is 4-(2-butan-2-yloxyacetyl)-6-methylpiperazin-2-one.
What is the SMILES notation for 4-(2-butan-2-yloxyacetyl)-6-methylpiperazin-2-one?
The canonical SMILES for 4-(2-butan-2-yloxyacetyl)-6-methylpiperazin-2-one is CCC(C)OCC(=O)N1CC(=O)NC(C)C1.
What is the InChIKey of 4-(2-butan-2-yloxyacetyl)-6-methylpiperazin-2-one?
The InChIKey is WSSLUJFVUKBEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-4-9(3)16-7-11(15)13-5-8(2)12-10(14)6-13/h8-9H,4-7H2,1-3H3,(H,12,14).
What are the key properties of 4-(2-butan-2-yloxyacetyl)-6-methylpiperazin-2-one?
4-(2-butan-2-yloxyacetyl)-6-methylpiperazin-2-one has a molecular weight of 228.29 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butan-2-yloxyacetyl)-6-methylpiperazin-2-one is sourced from PubChem (CID 136546640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).