1-[3-(ethylamino)propyl]-4-propylpiperazine-2,5-dione

C12H23N3O2 — CID 79936044

IUPAC1-[3-(ethylamino)propyl]-4-propylpiperazine-2,5-dione
SMILESCCCN1CC(=O)N(CCCNCC)CC1=O
InChIInChI=1S/C12H23N3O2/c1-3-7-14-9-12(17)15(10-11(14)16)8-5-6-13-4-2/h13H,3-10H2,1-2H3
InChIKeyYCXKHBJZDHZFQA-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.07
Rot. Bonds7

About 1-[3-(ethylamino)propyl]-4-propylpiperazine-2,5-dione

1-[3-(ethylamino)propyl]-4-propylpiperazine-2,5-dione (PubChem CID 79936044) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-[3-(ethylamino)propyl]-4-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[3-(ethylamino)propyl]-4-propylpiperazine-2,5-dione
PubChem CID79936044
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name1-[3-(ethylamino)propyl]-4-propylpiperazine-2,5-dione
SMILESCCCN1CC(=O)N(CCCNCC)CC1=O
InChIInChI=1S/C12H23N3O2/c1-3-7-14-9-12(17)15(10-11(14)16)8-5-6-13-4-2/h13H,3-10H2,1-2H3
InChIKeyYCXKHBJZDHZFQA-UHFFFAOYSA-N
XLogP0.07
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(ethylamino)propyl]-4-propylpiperazine-2,5-dione?
The IUPAC name of 1-[3-(ethylamino)propyl]-4-propylpiperazine-2,5-dione (CID 79936044) is 1-[3-(ethylamino)propyl]-4-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-[3-(ethylamino)propyl]-4-propylpiperazine-2,5-dione?
The canonical SMILES for 1-[3-(ethylamino)propyl]-4-propylpiperazine-2,5-dione is CCCN1CC(=O)N(CCCNCC)CC1=O.
What is the InChIKey of 1-[3-(ethylamino)propyl]-4-propylpiperazine-2,5-dione?
The InChIKey is YCXKHBJZDHZFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-3-7-14-9-12(17)15(10-11(14)16)8-5-6-13-4-2/h13H,3-10H2,1-2H3.
What are the key properties of 1-[3-(ethylamino)propyl]-4-propylpiperazine-2,5-dione?
1-[3-(ethylamino)propyl]-4-propylpiperazine-2,5-dione has a molecular weight of 241.33 g/mol, XLogP of 0.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(ethylamino)propyl]-4-propylpiperazine-2,5-dione is sourced from PubChem (CID 79936044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).