1-ethyl-4-[3-(propylamino)butyl]piperazine-2,5-dione

C13H25N3O2 — CID 79936808

IUPAC1-ethyl-4-[3-(propylamino)butyl]piperazine-2,5-dione
SMILESCCCNC(C)CCN1CC(=O)N(CC)CC1=O
InChIInChI=1S/C13H25N3O2/c1-4-7-14-11(3)6-8-16-10-12(17)15(5-2)9-13(16)18/h11,14H,4-10H2,1-3H3
InChIKeyRELLYFRAVCEDOC-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.46
Rot. Bonds7

About 1-ethyl-4-[3-(propylamino)butyl]piperazine-2,5-dione

1-ethyl-4-[3-(propylamino)butyl]piperazine-2,5-dione (PubChem CID 79936808) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-ethyl-4-[3-(propylamino)butyl]piperazine-2,5-dione.

Molecular Properties

Compound Name1-ethyl-4-[3-(propylamino)butyl]piperazine-2,5-dione
PubChem CID79936808
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name1-ethyl-4-[3-(propylamino)butyl]piperazine-2,5-dione
SMILESCCCNC(C)CCN1CC(=O)N(CC)CC1=O
InChIInChI=1S/C13H25N3O2/c1-4-7-14-11(3)6-8-16-10-12(17)15(5-2)9-13(16)18/h11,14H,4-10H2,1-3H3
InChIKeyRELLYFRAVCEDOC-UHFFFAOYSA-N
XLogP0.46
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[3-(propylamino)butyl]piperazine-2,5-dione?
The IUPAC name of 1-ethyl-4-[3-(propylamino)butyl]piperazine-2,5-dione (CID 79936808) is 1-ethyl-4-[3-(propylamino)butyl]piperazine-2,5-dione.
What is the SMILES notation for 1-ethyl-4-[3-(propylamino)butyl]piperazine-2,5-dione?
The canonical SMILES for 1-ethyl-4-[3-(propylamino)butyl]piperazine-2,5-dione is CCCNC(C)CCN1CC(=O)N(CC)CC1=O.
What is the InChIKey of 1-ethyl-4-[3-(propylamino)butyl]piperazine-2,5-dione?
The InChIKey is RELLYFRAVCEDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-4-7-14-11(3)6-8-16-10-12(17)15(5-2)9-13(16)18/h11,14H,4-10H2,1-3H3.
What are the key properties of 1-ethyl-4-[3-(propylamino)butyl]piperazine-2,5-dione?
1-ethyl-4-[3-(propylamino)butyl]piperazine-2,5-dione has a molecular weight of 255.36 g/mol, XLogP of 0.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[3-(propylamino)butyl]piperazine-2,5-dione is sourced from PubChem (CID 79936808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).