1-ethyl-6-propylpiperazine-2,5-dione

C9H16N2O2 — CID 64881606

IUPAC1-ethyl-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NCC(=O)N1CC
InChIInChI=1S/C9H16N2O2/c1-3-5-7-9(13)10-6-8(12)11(7)4-2/h7H,3-6H2,1-2H3,(H,10,13)
InChIKeyBKRHTLBWTSRXQQ-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.13
Rot. Bonds3

About 1-ethyl-6-propylpiperazine-2,5-dione

1-ethyl-6-propylpiperazine-2,5-dione (PubChem CID 64881606) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-ethyl-6-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-ethyl-6-propylpiperazine-2,5-dione
PubChem CID64881606
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1-ethyl-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NCC(=O)N1CC
InChIInChI=1S/C9H16N2O2/c1-3-5-7-9(13)10-6-8(12)11(7)4-2/h7H,3-6H2,1-2H3,(H,10,13)
InChIKeyBKRHTLBWTSRXQQ-UHFFFAOYSA-N
XLogP0.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-difluoroethyl)-6-propylpiperazine-2,5-dione
CID 64880826
6-propyl-1-(pyridin-4-ylmethyl)piperazine-2,5-dione
CID 64879861
1-[(3,4-dichlorophenyl)methyl]-6-propylpiperazine-2,5-dione
CID 64880051
6-propyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione
CID 112645045
1-[(5-chloro-2-fluorophenyl)methyl]-6-propylpiperazine-2,5-dione
CID 103050932
1-[(3-bromophenyl)methyl]-6-propylpiperazine-2,5-dione
CID 64878706
1-[(1-propan-2-ylpyrazol-3-yl)methyl]-6-propylpiperazine-2,5-dione
CID 64881604
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-6-propylpiperazine-2,5-dione
CID 79214491
1-(2-bicyclo[2.2.1]heptanyl)-6-propylpiperazine-2,5-dione
CID 114246855
6-ethyl-1-(2-methylsulfanylethyl)piperazine-2,5-dione
CID 64971596
6-ethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine-2,5-dione
CID 64879083
6-ethyl-1-[(1-methylpiperidin-4-yl)methyl]piperazine-2,5-dione
CID 64967045

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-propylpiperazine-2,5-dione?
The IUPAC name of 1-ethyl-6-propylpiperazine-2,5-dione (CID 64881606) is 1-ethyl-6-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-ethyl-6-propylpiperazine-2,5-dione?
The canonical SMILES for 1-ethyl-6-propylpiperazine-2,5-dione is CCCC1C(=O)NCC(=O)N1CC.
What is the InChIKey of 1-ethyl-6-propylpiperazine-2,5-dione?
The InChIKey is BKRHTLBWTSRXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-3-5-7-9(13)10-6-8(12)11(7)4-2/h7H,3-6H2,1-2H3,(H,10,13).
What are the key properties of 1-ethyl-6-propylpiperazine-2,5-dione?
1-ethyl-6-propylpiperazine-2,5-dione has a molecular weight of 184.24 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-propylpiperazine-2,5-dione is sourced from PubChem (CID 64881606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).