1-[4-(3-propoxypyrazin-2-yl)piperazin-1-yl]ethanone

C13H20N4O2 — CID 134122695

IUPAC1-[4-(3-propoxypyrazin-2-yl)piperazin-1-yl]ethanone
SMILESCCCOc1nccnc1N1CCN(C(C)=O)CC1
InChIInChI=1S/C13H20N4O2/c1-3-10-19-13-12(14-4-5-15-13)17-8-6-16(7-9-17)11(2)18/h4-5H,3,6-10H2,1-2H3
InChIKeyPJOLASOQFUZADU-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.93
Rot. Bonds4

About 1-[4-(3-propoxypyrazin-2-yl)piperazin-1-yl]ethanone

1-[4-(3-propoxypyrazin-2-yl)piperazin-1-yl]ethanone (PubChem CID 134122695) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-[4-(3-propoxypyrazin-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(3-propoxypyrazin-2-yl)piperazin-1-yl]ethanone
PubChem CID134122695
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name1-[4-(3-propoxypyrazin-2-yl)piperazin-1-yl]ethanone
SMILESCCCOc1nccnc1N1CCN(C(C)=O)CC1
InChIInChI=1S/C13H20N4O2/c1-3-10-19-13-12(14-4-5-15-13)17-8-6-16(7-9-17)11(2)18/h4-5H,3,6-10H2,1-2H3
InChIKeyPJOLASOQFUZADU-UHFFFAOYSA-N
XLogP0.93
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(3-propoxypyrazin-2-yl)piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-propoxypyrazin-2-yl)pyrrolidin-3-amine
CID 53185753
4-acetyl-N-ethyl-N'-[(2-propoxy-3-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 110962600
1-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]ethanone
CID 176933932
tert-butyl 4-[3-[2-(3-hydroxyphenoxy)ethoxy]pyrazin-2-yl]piperazine-1-carboxylate
CID 22036242
ethyl 4-(3-aminopyrazin-2-yl)piperazine-1-carboxylate
CID 103633734
N-(3-chloro-4-methylphenyl)-4-(3-ethoxypyrazin-2-yl)piperazine-1-carboxamide
CID 166227505
N-[(3S)-1-(3-propoxypyrazin-2-yl)pyrrolidin-3-yl]-2-pyridin-3-ylacetamide
CID 95107733
ethane;1-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]ethanone;propane
CID 142827395
4-[3-[2-(2-aminoquinolin-8-yl)oxyethoxy]pyrazin-2-yl]piperazine-1-carboxylic acid
CID 22036502
tert-butyl 4-[3-[2-(3-formylphenoxy)ethoxy]pyrazin-2-yl]piperazine-1-carboxylate
CID 11304919
4-(3-propan-2-yloxypyrazin-2-yl)-1,4-diazepane-1-carboxamide
CID 133443122
4-acetyl-N'-[(2-butoxy-3-pyridinyl)methyl]-N-ethylpiperazine-1-carboximidamide;hydroiodide
CID 110962602

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-propoxypyrazin-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(3-propoxypyrazin-2-yl)piperazin-1-yl]ethanone (CID 134122695) is 1-[4-(3-propoxypyrazin-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(3-propoxypyrazin-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(3-propoxypyrazin-2-yl)piperazin-1-yl]ethanone is CCCOc1nccnc1N1CCN(C(C)=O)CC1.
What is the InChIKey of 1-[4-(3-propoxypyrazin-2-yl)piperazin-1-yl]ethanone?
The InChIKey is PJOLASOQFUZADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-3-10-19-13-12(14-4-5-15-13)17-8-6-16(7-9-17)11(2)18/h4-5H,3,6-10H2,1-2H3.
What are the key properties of 1-[4-(3-propoxypyrazin-2-yl)piperazin-1-yl]ethanone?
1-[4-(3-propoxypyrazin-2-yl)piperazin-1-yl]ethanone has a molecular weight of 264.33 g/mol, XLogP of 0.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-propoxypyrazin-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 134122695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).