[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone

C21H28N6O — CID 109278104

IUPAC[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cnc(N3CCN(Cc4ccccc4)CC3)cn2)CC1
InChIInChI=1S/C21H28N6O/c1-24-7-11-27(12-8-24)21(28)19-15-23-20(16-22-19)26-13-9-25(10-14-26)17-18-5-3-2-4-6-18/h2-6,15-16H,7-14,17H2,1H3
InChIKeyIBYHZCHSMKGFDN-UHFFFAOYSA-N
MW380.50 g/mol
LogP1.19
Rot. Bonds4

About [5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone

[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 109278104) has the molecular formula C21H28N6O and a molecular weight of 380.50 g/mol. Its IUPAC name is [5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID109278104
Molecular FormulaC21H28N6O
Molecular Weight380.50 g/mol
Exact Mass380.23
IUPAC Name[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cnc(N3CCN(Cc4ccccc4)CC3)cn2)CC1
InChIInChI=1S/C21H28N6O/c1-24-7-11-27(12-8-24)21(28)19-15-23-20(16-22-19)26-13-9-25(10-14-26)17-18-5-3-2-4-6-18/h2-6,15-16H,7-14,17H2,1H3
InChIKeyIBYHZCHSMKGFDN-UHFFFAOYSA-N
XLogP1.19
TPSA55.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109278450
azepan-1-yl-[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]methanone
CID 109285483
(4-benzylpiperazin-1-yl)-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]methanone
CID 109116153
[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109285489
5-(4-benzylpiperazin-1-yl)-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 109272774
2-(4-benzylpiperazin-1-yl)-5-methylpyrazine
CID 67976848
5-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122053623
[5-(4-phenylpiperazin-1-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273545
[5-(4-ethylpiperazin-1-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273513
5-(4-methylpiperazin-1-yl)pyrazine-2-carboxylic acid;dihydrochloride
CID 170916735
(4-benzylpiperazin-1-yl)-[5-[2-(dimethylamino)ethylamino]pyrazin-2-yl]methanone
CID 109277312
5-(4-benzylpiperazin-1-yl)-N-(2-cyanophenyl)pyrazine-2-carboxamide
CID 109285493

Frequently Asked Questions

What is the IUPAC name of [5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone (CID 109278104) is [5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2cnc(N3CCN(Cc4ccccc4)CC3)cn2)CC1.
What is the InChIKey of [5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is IBYHZCHSMKGFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O/c1-24-7-11-27(12-8-24)21(28)19-15-23-20(16-22-19)26-13-9-25(10-14-26)17-18-5-3-2-4-6-18/h2-6,15-16H,7-14,17H2,1H3.
What are the key properties of [5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone?
[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 380.50 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 109278104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).