3-ethyl-4-[[5-(propylamino)pyrazin-2-yl]methyl]piperazine-2,6-dione

C14H21N5O2 — CID 103056602

IUPAC3-ethyl-4-[[5-(propylamino)pyrazin-2-yl]methyl]piperazine-2,6-dione
SMILESCCCNc1cnc(CN2CC(=O)NC(=O)C2CC)cn1
InChIInChI=1S/C14H21N5O2/c1-3-5-15-12-7-16-10(6-17-12)8-19-9-13(20)18-14(21)11(19)4-2/h6-7,11H,3-5,8-9H2,1-2H3,(H,15,17)(H,18,20,21)
InChIKeyCKZKBFKHASBXNU-UHFFFAOYSA-N
MW291.36 g/mol
LogP0.54
Rot. Bonds6

About 3-ethyl-4-[[5-(propylamino)pyrazin-2-yl]methyl]piperazine-2,6-dione

3-ethyl-4-[[5-(propylamino)pyrazin-2-yl]methyl]piperazine-2,6-dione (PubChem CID 103056602) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is 3-ethyl-4-[[5-(propylamino)pyrazin-2-yl]methyl]piperazine-2,6-dione.

Molecular Properties

Compound Name3-ethyl-4-[[5-(propylamino)pyrazin-2-yl]methyl]piperazine-2,6-dione
PubChem CID103056602
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Name3-ethyl-4-[[5-(propylamino)pyrazin-2-yl]methyl]piperazine-2,6-dione
SMILESCCCNc1cnc(CN2CC(=O)NC(=O)C2CC)cn1
InChIInChI=1S/C14H21N5O2/c1-3-5-15-12-7-16-10(6-17-12)8-19-9-13(20)18-14(21)11(19)4-2/h6-7,11H,3-5,8-9H2,1-2H3,(H,15,17)(H,18,20,21)
InChIKeyCKZKBFKHASBXNU-UHFFFAOYSA-N
XLogP0.54
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-4-[[5-(propylamino)thiadiazol-4-yl]methyl]piperazine-2,6-dione
CID 66067235
3-ethyl-4-[[4-(ethylamino)-2-pyridinyl]methyl]piperazine-2,6-dione
CID 79250855
3-[[5-(propylamino)pyrazin-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 103057419
3-methyl-4-[[6-(propylamino)-2-pyridinyl]methyl]piperazine-2,6-dione
CID 79233937
1-ethyl-4-[[5-(propylamino)pyrazin-2-yl]methyl]piperazine-2,3-dione
CID 103056990
5-[(2,3-dimethylpiperidin-1-yl)methyl]-N-propylpyrazin-2-amine
CID 103055739
5-propyl-3-[[5-(propylamino)pyrazin-2-yl]methyl]imidazolidine-2,4-dione
CID 103057085
5-[(3,5-diethylpyrazol-1-yl)methyl]-N-propylpyrazin-2-amine
CID 103057590
5-[(4-propan-2-ylpiperidin-1-yl)methyl]-N-propylpyrazin-2-amine
CID 103502336
N-propyl-5-[(3,4,5-trimethylpiperazin-1-yl)methyl]pyrazin-2-amine
CID 103056905
6-[(2-ethyl-3,5-dioxopiperazin-1-yl)methyl]pyridine-2-carboxylic acid
CID 106904217
5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-N-propylpyrazin-2-amine
CID 103056605

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[[5-(propylamino)pyrazin-2-yl]methyl]piperazine-2,6-dione?
The IUPAC name of 3-ethyl-4-[[5-(propylamino)pyrazin-2-yl]methyl]piperazine-2,6-dione (CID 103056602) is 3-ethyl-4-[[5-(propylamino)pyrazin-2-yl]methyl]piperazine-2,6-dione.
What is the SMILES notation for 3-ethyl-4-[[5-(propylamino)pyrazin-2-yl]methyl]piperazine-2,6-dione?
The canonical SMILES for 3-ethyl-4-[[5-(propylamino)pyrazin-2-yl]methyl]piperazine-2,6-dione is CCCNc1cnc(CN2CC(=O)NC(=O)C2CC)cn1.
What is the InChIKey of 3-ethyl-4-[[5-(propylamino)pyrazin-2-yl]methyl]piperazine-2,6-dione?
The InChIKey is CKZKBFKHASBXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-3-5-15-12-7-16-10(6-17-12)8-19-9-13(20)18-14(21)11(19)4-2/h6-7,11H,3-5,8-9H2,1-2H3,(H,15,17)(H,18,20,21).
What are the key properties of 3-ethyl-4-[[5-(propylamino)pyrazin-2-yl]methyl]piperazine-2,6-dione?
3-ethyl-4-[[5-(propylamino)pyrazin-2-yl]methyl]piperazine-2,6-dione has a molecular weight of 291.36 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[[5-(propylamino)pyrazin-2-yl]methyl]piperazine-2,6-dione is sourced from PubChem (CID 103056602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).