3,3-diethyl-1-prop-2-enyl-6-propylpiperazine-2,5-dione

C14H24N2O2 — CID 64886736

IUPAC3,3-diethyl-1-prop-2-enyl-6-propylpiperazine-2,5-dione
SMILESC=CCN1C(=O)C(CC)(CC)NC(=O)C1CCC
InChIInChI=1S/C14H24N2O2/c1-5-9-11-12(17)15-14(7-3,8-4)13(18)16(11)10-6-2/h6,11H,2,5,7-10H2,1,3-4H3,(H,15,17)
InChIKeyZHXUATAVVWTVQD-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.86
Rot. Bonds6

About 3,3-diethyl-1-prop-2-enyl-6-propylpiperazine-2,5-dione

3,3-diethyl-1-prop-2-enyl-6-propylpiperazine-2,5-dione (PubChem CID 64886736) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3,3-diethyl-1-prop-2-enyl-6-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name3,3-diethyl-1-prop-2-enyl-6-propylpiperazine-2,5-dione
PubChem CID64886736
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name3,3-diethyl-1-prop-2-enyl-6-propylpiperazine-2,5-dione
SMILESC=CCN1C(=O)C(CC)(CC)NC(=O)C1CCC
InChIInChI=1S/C14H24N2O2/c1-5-9-11-12(17)15-14(7-3,8-4)13(18)16(11)10-6-2/h6,11H,2,5,7-10H2,1,3-4H3,(H,15,17)
InChIKeyZHXUATAVVWTVQD-UHFFFAOYSA-N
XLogP1.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.86
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 3,3-diethyl-1-prop-2-enyl-6-propylpiperazine-2,5-dione?
The IUPAC name of 3,3-diethyl-1-prop-2-enyl-6-propylpiperazine-2,5-dione (CID 64886736) is 3,3-diethyl-1-prop-2-enyl-6-propylpiperazine-2,5-dione.
What is the SMILES notation for 3,3-diethyl-1-prop-2-enyl-6-propylpiperazine-2,5-dione?
The canonical SMILES for 3,3-diethyl-1-prop-2-enyl-6-propylpiperazine-2,5-dione is C=CCN1C(=O)C(CC)(CC)NC(=O)C1CCC.
What is the InChIKey of 3,3-diethyl-1-prop-2-enyl-6-propylpiperazine-2,5-dione?
The InChIKey is ZHXUATAVVWTVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-5-9-11-12(17)15-14(7-3,8-4)13(18)16(11)10-6-2/h6,11H,2,5,7-10H2,1,3-4H3,(H,15,17).
What are the key properties of 3,3-diethyl-1-prop-2-enyl-6-propylpiperazine-2,5-dione?
3,3-diethyl-1-prop-2-enyl-6-propylpiperazine-2,5-dione has a molecular weight of 252.36 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1-prop-2-enyl-6-propylpiperazine-2,5-dione is sourced from PubChem (CID 64886736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).