1-[2-oxo-2-(oxolan-3-yl)ethyl]-4-propylpiperazine-2,5-dione

C13H20N2O4 — CID 113448958

IUPAC1-[2-oxo-2-(oxolan-3-yl)ethyl]-4-propylpiperazine-2,5-dione
SMILESCCCN1CC(=O)N(CC(=O)C2CCOC2)CC1=O
InChIInChI=1S/C13H20N2O4/c1-2-4-14-7-13(18)15(8-12(14)17)6-11(16)10-3-5-19-9-10/h10H,2-9H2,1H3
InChIKeyZLAVXORLXMECET-UHFFFAOYSA-N
MW268.31 g/mol
LogP-0.33
Rot. Bonds5

About 1-[2-oxo-2-(oxolan-3-yl)ethyl]-4-propylpiperazine-2,5-dione

1-[2-oxo-2-(oxolan-3-yl)ethyl]-4-propylpiperazine-2,5-dione (PubChem CID 113448958) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 1-[2-oxo-2-(oxolan-3-yl)ethyl]-4-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[2-oxo-2-(oxolan-3-yl)ethyl]-4-propylpiperazine-2,5-dione
PubChem CID113448958
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name1-[2-oxo-2-(oxolan-3-yl)ethyl]-4-propylpiperazine-2,5-dione
SMILESCCCN1CC(=O)N(CC(=O)C2CCOC2)CC1=O
InChIInChI=1S/C13H20N2O4/c1-2-4-14-7-13(18)15(8-12(14)17)6-11(16)10-3-5-19-9-10/h10H,2-9H2,1H3
InChIKeyZLAVXORLXMECET-UHFFFAOYSA-N
XLogP-0.33
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 5-0.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(oxolan-3-yl)ethyl]-4-propylpiperazine-2,5-dione?
The IUPAC name of 1-[2-oxo-2-(oxolan-3-yl)ethyl]-4-propylpiperazine-2,5-dione (CID 113448958) is 1-[2-oxo-2-(oxolan-3-yl)ethyl]-4-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-[2-oxo-2-(oxolan-3-yl)ethyl]-4-propylpiperazine-2,5-dione?
The canonical SMILES for 1-[2-oxo-2-(oxolan-3-yl)ethyl]-4-propylpiperazine-2,5-dione is CCCN1CC(=O)N(CC(=O)C2CCOC2)CC1=O.
What is the InChIKey of 1-[2-oxo-2-(oxolan-3-yl)ethyl]-4-propylpiperazine-2,5-dione?
The InChIKey is ZLAVXORLXMECET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-2-4-14-7-13(18)15(8-12(14)17)6-11(16)10-3-5-19-9-10/h10H,2-9H2,1H3.
What are the key properties of 1-[2-oxo-2-(oxolan-3-yl)ethyl]-4-propylpiperazine-2,5-dione?
1-[2-oxo-2-(oxolan-3-yl)ethyl]-4-propylpiperazine-2,5-dione has a molecular weight of 268.31 g/mol, XLogP of -0.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(oxolan-3-yl)ethyl]-4-propylpiperazine-2,5-dione is sourced from PubChem (CID 113448958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).