1-tert-butyl-4-(3-methylbutanoyl)piperazin-2-one

C13H24N2O2 — CID 110873631

IUPAC1-tert-butyl-4-(3-methylbutanoyl)piperazin-2-one
SMILESCC(C)CC(=O)N1CCN(C(C)(C)C)C(=O)C1
InChIInChI=1S/C13H24N2O2/c1-10(2)8-11(16)14-6-7-15(12(17)9-14)13(3,4)5/h10H,6-9H2,1-5H3
InChIKeyAUYJXFUKZAQVTJ-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.50
Rot. Bonds2

About 1-tert-butyl-4-(3-methylbutanoyl)piperazin-2-one

1-tert-butyl-4-(3-methylbutanoyl)piperazin-2-one (PubChem CID 110873631) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-tert-butyl-4-(3-methylbutanoyl)piperazin-2-one.

Molecular Properties

Compound Name1-tert-butyl-4-(3-methylbutanoyl)piperazin-2-one
PubChem CID110873631
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-tert-butyl-4-(3-methylbutanoyl)piperazin-2-one
SMILESCC(C)CC(=O)N1CCN(C(C)(C)C)C(=O)C1
InChIInChI=1S/C13H24N2O2/c1-10(2)8-11(16)14-6-7-15(12(17)9-14)13(3,4)5/h10H,6-9H2,1-5H3
InChIKeyAUYJXFUKZAQVTJ-UHFFFAOYSA-N
XLogP1.50
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(3-methylbutanoyl)piperazin-2-one?
The IUPAC name of 1-tert-butyl-4-(3-methylbutanoyl)piperazin-2-one (CID 110873631) is 1-tert-butyl-4-(3-methylbutanoyl)piperazin-2-one.
What is the SMILES notation for 1-tert-butyl-4-(3-methylbutanoyl)piperazin-2-one?
The canonical SMILES for 1-tert-butyl-4-(3-methylbutanoyl)piperazin-2-one is CC(C)CC(=O)N1CCN(C(C)(C)C)C(=O)C1.
What is the InChIKey of 1-tert-butyl-4-(3-methylbutanoyl)piperazin-2-one?
The InChIKey is AUYJXFUKZAQVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10(2)8-11(16)14-6-7-15(12(17)9-14)13(3,4)5/h10H,6-9H2,1-5H3.
What are the key properties of 1-tert-butyl-4-(3-methylbutanoyl)piperazin-2-one?
1-tert-butyl-4-(3-methylbutanoyl)piperazin-2-one has a molecular weight of 240.35 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(3-methylbutanoyl)piperazin-2-one is sourced from PubChem (CID 110873631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).