ethane;1-propylpiperazine-2,5-dione

C9H18N2O2 — CID 165138491

IUPACethane;1-propylpiperazine-2,5-dione
SMILESCC.CCCN1CC(=O)NCC1=O
InChIInChI=1S/C7H12N2O2.C2H6/c1-2-3-9-5-6(10)8-4-7(9)11;1-2/h2-5H2,1H3,(H,8,10);1-2H3
InChIKeyJOAFQNVLBLELPZ-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.38
Rot. Bonds2

About ethane;1-propylpiperazine-2,5-dione

ethane;1-propylpiperazine-2,5-dione (PubChem CID 165138491) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is ethane;1-propylpiperazine-2,5-dione.

Molecular Properties

Compound Nameethane;1-propylpiperazine-2,5-dione
PubChem CID165138491
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Nameethane;1-propylpiperazine-2,5-dione
SMILESCC.CCCN1CC(=O)NCC1=O
InChIInChI=1S/C7H12N2O2.C2H6/c1-2-3-9-5-6(10)8-4-7(9)11;1-2/h2-5H2,1H3,(H,8,10);1-2H3
InChIKeyJOAFQNVLBLELPZ-UHFFFAOYSA-N
XLogP0.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

azane;1-butylpiperazine-2,5-dione
CID 174744496
1-(4-aminobutyl)piperazine-2,5-dione
CID 54292363
1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione
CID 64874237
3-(2,5-dioxopiperazin-1-yl)-N'-hydroxypropanimidamide
CID 76587988
1-[2-(3-methoxypropoxy)ethyl]piperazine-2,5-dione
CID 103184626
1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-2,5-dione
CID 64873258
1-(3-phenylpropyl)piperazine-2,5-dione
CID 64874242
1-propyl-1,3-diazinane-2,5-dione
CID 155748543
3,3-dimethyl-1-propylpiperazine-2,5-dione
CID 64881118
1-(cyclobutylmethyl)piperazine-2,5-dione
CID 64956054
1-(3-phenoxypropyl)piperazine-2,5-dione
CID 64873257
1-(3-imidazol-1-ylpropyl)piperazine-2,5-dione
CID 64874044

Frequently Asked Questions

What is the IUPAC name of ethane;1-propylpiperazine-2,5-dione?
The IUPAC name of ethane;1-propylpiperazine-2,5-dione (CID 165138491) is ethane;1-propylpiperazine-2,5-dione.
What is the SMILES notation for ethane;1-propylpiperazine-2,5-dione?
The canonical SMILES for ethane;1-propylpiperazine-2,5-dione is CC.CCCN1CC(=O)NCC1=O.
What is the InChIKey of ethane;1-propylpiperazine-2,5-dione?
The InChIKey is JOAFQNVLBLELPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2.C2H6/c1-2-3-9-5-6(10)8-4-7(9)11;1-2/h2-5H2,1H3,(H,8,10);1-2H3.
What are the key properties of ethane;1-propylpiperazine-2,5-dione?
ethane;1-propylpiperazine-2,5-dione has a molecular weight of 186.25 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-propylpiperazine-2,5-dione is sourced from PubChem (CID 165138491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).