1-but-3-enyl-4-tert-butylpiperazin-2-one

C12H22N2O — CID 69155456

IUPAC1-but-3-enyl-4-tert-butylpiperazin-2-one
SMILESC=CCCN1CCN(C(C)(C)C)CC1=O
InChIInChI=1S/C12H22N2O/c1-5-6-7-13-8-9-14(10-11(13)15)12(2,3)4/h5H,1,6-10H2,2-4H3
InChIKeyIHSXHMPJEOHNCT-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.51
Rot. Bonds3

About 1-but-3-enyl-4-tert-butylpiperazin-2-one

1-but-3-enyl-4-tert-butylpiperazin-2-one (PubChem CID 69155456) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-but-3-enyl-4-tert-butylpiperazin-2-one.

Molecular Properties

Compound Name1-but-3-enyl-4-tert-butylpiperazin-2-one
PubChem CID69155456
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-but-3-enyl-4-tert-butylpiperazin-2-one
SMILESC=CCCN1CCN(C(C)(C)C)CC1=O
InChIInChI=1S/C12H22N2O/c1-5-6-7-13-8-9-14(10-11(13)15)12(2,3)4/h5H,1,6-10H2,2-4H3
InChIKeyIHSXHMPJEOHNCT-UHFFFAOYSA-N
XLogP1.51
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-but-3-enyl-4-tert-butylpiperazin-2-one?
The IUPAC name of 1-but-3-enyl-4-tert-butylpiperazin-2-one (CID 69155456) is 1-but-3-enyl-4-tert-butylpiperazin-2-one.
What is the SMILES notation for 1-but-3-enyl-4-tert-butylpiperazin-2-one?
The canonical SMILES for 1-but-3-enyl-4-tert-butylpiperazin-2-one is C=CCCN1CCN(C(C)(C)C)CC1=O.
What is the InChIKey of 1-but-3-enyl-4-tert-butylpiperazin-2-one?
The InChIKey is IHSXHMPJEOHNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-5-6-7-13-8-9-14(10-11(13)15)12(2,3)4/h5H,1,6-10H2,2-4H3.
What are the key properties of 1-but-3-enyl-4-tert-butylpiperazin-2-one?
1-but-3-enyl-4-tert-butylpiperazin-2-one has a molecular weight of 210.32 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enyl-4-tert-butylpiperazin-2-one is sourced from PubChem (CID 69155456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).