1-[4-[5-(1,3-benzodioxol-5-ylamino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone

C18H19N5O4 — CID 109279141

IUPAC1-[4-[5-(1,3-benzodioxol-5-ylamino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cnc(Nc3ccc4c(c3)OCO4)cn2)CC1
InChIInChI=1S/C18H19N5O4/c1-12(24)22-4-6-23(7-5-22)18(25)14-9-20-17(10-19-14)21-13-2-3-15-16(8-13)27-11-26-15/h2-3,8-10H,4-7,11H2,1H3,(H,20,21)
InChIKeyJELDQPUWBHRONN-UHFFFAOYSA-N
MW369.38 g/mol
LogP1.25
Rot. Bonds3

About 1-[4-[5-(1,3-benzodioxol-5-ylamino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone

1-[4-[5-(1,3-benzodioxol-5-ylamino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone (PubChem CID 109279141) has the molecular formula C18H19N5O4 and a molecular weight of 369.38 g/mol. Its IUPAC name is 1-[4-[5-(1,3-benzodioxol-5-ylamino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[5-(1,3-benzodioxol-5-ylamino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone
PubChem CID109279141
Molecular FormulaC18H19N5O4
Molecular Weight369.38 g/mol
Exact Mass369.14
IUPAC Name1-[4-[5-(1,3-benzodioxol-5-ylamino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cnc(Nc3ccc4c(c3)OCO4)cn2)CC1
InChIInChI=1S/C18H19N5O4/c1-12(24)22-4-6-23(7-5-22)18(25)14-9-20-17(10-19-14)21-13-2-3-15-16(8-13)27-11-26-15/h2-3,8-10H,4-7,11H2,1H3,(H,20,21)
InChIKeyJELDQPUWBHRONN-UHFFFAOYSA-N
XLogP1.25
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[4-[5-(1,3-benzodioxol-5-ylamino)pyrazine-2-carbonyl]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

[5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273663
1-[4-[5-(3,4-difluoroanilino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone
CID 109279160
1-[4-[5-(3,5-dichloroanilino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone
CID 109279150
N-(4-acetylphenyl)-5-(1,3-benzodioxol-5-ylamino)pyrazine-2-carboxamide
CID 109294079
5-(4-acetamidoanilino)-N-(1,3-benzodioxol-5-yl)pyrazine-2-carboxamide
CID 109294153
1-[4-[5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone
CID 109279139
N-[4-[[5-(morpholine-4-carbonyl)pyrazin-2-yl]amino]phenyl]acetamide
CID 109276515
5-(1,3-benzodioxol-5-ylamino)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide
CID 109277249
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[5-(2-methylpropylamino)pyrazin-2-yl]methanone
CID 109272979
[6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109342470
N-(1,3-benzodioxol-5-yl)-5-(4-chloroanilino)pyrazine-2-carboxamide
CID 109292906
5-[4-(1,3-benzodioxole-5-carbonyl)piperazine-1-carbonyl]pyrazine-2-carboxylic acid
CID 120690241

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(1,3-benzodioxol-5-ylamino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[5-(1,3-benzodioxol-5-ylamino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone (CID 109279141) is 1-[4-[5-(1,3-benzodioxol-5-ylamino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[5-(1,3-benzodioxol-5-ylamino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[5-(1,3-benzodioxol-5-ylamino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2cnc(Nc3ccc4c(c3)OCO4)cn2)CC1.
What is the InChIKey of 1-[4-[5-(1,3-benzodioxol-5-ylamino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is JELDQPUWBHRONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O4/c1-12(24)22-4-6-23(7-5-22)18(25)14-9-20-17(10-19-14)21-13-2-3-15-16(8-13)27-11-26-15/h2-3,8-10H,4-7,11H2,1H3,(H,20,21).
What are the key properties of 1-[4-[5-(1,3-benzodioxol-5-ylamino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone?
1-[4-[5-(1,3-benzodioxol-5-ylamino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 369.38 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(1,3-benzodioxol-5-ylamino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 109279141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).