1-(2-oxopentyl)-4-propylpiperazine-2,5-dione

C12H20N2O3 — CID 79941384

IUPAC1-(2-oxopentyl)-4-propylpiperazine-2,5-dione
SMILESCCCC(=O)CN1CC(=O)N(CCC)CC1=O
InChIInChI=1S/C12H20N2O3/c1-3-5-10(15)7-14-9-11(16)13(6-4-2)8-12(14)17/h3-9H2,1-2H3
InChIKeyPOJNLMLABVJOKO-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.44
Rot. Bonds6

About 1-(2-oxopentyl)-4-propylpiperazine-2,5-dione

1-(2-oxopentyl)-4-propylpiperazine-2,5-dione (PubChem CID 79941384) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-(2-oxopentyl)-4-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-oxopentyl)-4-propylpiperazine-2,5-dione
PubChem CID79941384
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name1-(2-oxopentyl)-4-propylpiperazine-2,5-dione
SMILESCCCC(=O)CN1CC(=O)N(CCC)CC1=O
InChIInChI=1S/C12H20N2O3/c1-3-5-10(15)7-14-9-11(16)13(6-4-2)8-12(14)17/h3-9H2,1-2H3
InChIKeyPOJNLMLABVJOKO-UHFFFAOYSA-N
XLogP0.44
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-oxopentyl)-4-propylpiperazine-2,5-dione?
The IUPAC name of 1-(2-oxopentyl)-4-propylpiperazine-2,5-dione (CID 79941384) is 1-(2-oxopentyl)-4-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2-oxopentyl)-4-propylpiperazine-2,5-dione?
The canonical SMILES for 1-(2-oxopentyl)-4-propylpiperazine-2,5-dione is CCCC(=O)CN1CC(=O)N(CCC)CC1=O.
What is the InChIKey of 1-(2-oxopentyl)-4-propylpiperazine-2,5-dione?
The InChIKey is POJNLMLABVJOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-3-5-10(15)7-14-9-11(16)13(6-4-2)8-12(14)17/h3-9H2,1-2H3.
What are the key properties of 1-(2-oxopentyl)-4-propylpiperazine-2,5-dione?
1-(2-oxopentyl)-4-propylpiperazine-2,5-dione has a molecular weight of 240.30 g/mol, XLogP of 0.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxopentyl)-4-propylpiperazine-2,5-dione is sourced from PubChem (CID 79941384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).