1-[(E)-but-2-enyl]-3-propan-2-yl-6-propylpiperazine-2,5-dione

C14H24N2O2 — CID 107898189

IUPAC1-[(E)-but-2-enyl]-3-propan-2-yl-6-propylpiperazine-2,5-dione
SMILESC/C=C/CN1C(=O)C(C(C)C)NC(=O)C1CCC
InChIInChI=1S/C14H24N2O2/c1-5-7-9-16-11(8-6-2)13(17)15-12(10(3)4)14(16)18/h5,7,10-12H,6,8-9H2,1-4H3,(H,15,17)/b7-5+
InChIKeyRCHCIHOMEQZGES-FNORWQNLSA-N
MW252.36 g/mol
LogP1.71
Rot. Bonds5

About 1-[(E)-but-2-enyl]-3-propan-2-yl-6-propylpiperazine-2,5-dione

1-[(E)-but-2-enyl]-3-propan-2-yl-6-propylpiperazine-2,5-dione (PubChem CID 107898189) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-[(E)-but-2-enyl]-3-propan-2-yl-6-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(E)-but-2-enyl]-3-propan-2-yl-6-propylpiperazine-2,5-dione
PubChem CID107898189
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-[(E)-but-2-enyl]-3-propan-2-yl-6-propylpiperazine-2,5-dione
SMILESC/C=C/CN1C(=O)C(C(C)C)NC(=O)C1CCC
InChIInChI=1S/C14H24N2O2/c1-5-7-9-16-11(8-6-2)13(17)15-12(10(3)4)14(16)18/h5,7,10-12H,6,8-9H2,1-4H3,(H,15,17)/b7-5+
InChIKeyRCHCIHOMEQZGES-FNORWQNLSA-N
XLogP1.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.71
H-Bond Donors ≤ 51
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-[(E)-but-2-enyl]-3-propan-2-yl-6-propylpiperazine-2,5-dione?
The IUPAC name of 1-[(E)-but-2-enyl]-3-propan-2-yl-6-propylpiperazine-2,5-dione (CID 107898189) is 1-[(E)-but-2-enyl]-3-propan-2-yl-6-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(E)-but-2-enyl]-3-propan-2-yl-6-propylpiperazine-2,5-dione?
The canonical SMILES for 1-[(E)-but-2-enyl]-3-propan-2-yl-6-propylpiperazine-2,5-dione is C/C=C/CN1C(=O)C(C(C)C)NC(=O)C1CCC.
What is the InChIKey of 1-[(E)-but-2-enyl]-3-propan-2-yl-6-propylpiperazine-2,5-dione?
The InChIKey is RCHCIHOMEQZGES-FNORWQNLSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-5-7-9-16-11(8-6-2)13(17)15-12(10(3)4)14(16)18/h5,7,10-12H,6,8-9H2,1-4H3,(H,15,17)/b7-5+.
What are the key properties of 1-[(E)-but-2-enyl]-3-propan-2-yl-6-propylpiperazine-2,5-dione?
1-[(E)-but-2-enyl]-3-propan-2-yl-6-propylpiperazine-2,5-dione has a molecular weight of 252.36 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-enyl]-3-propan-2-yl-6-propylpiperazine-2,5-dione is sourced from PubChem (CID 107898189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).