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

C20H28N6O — CID 109277312

IUPAC(4-benzylpiperazin-1-yl)-[5-[2-(dimethylamino)ethylamino]pyrazin-2-yl]methanone
SMILESCN(C)CCNc1cnc(C(=O)N2CCN(Cc3ccccc3)CC2)cn1
InChIInChI=1S/C20H28N6O/c1-24(2)9-8-21-19-15-22-18(14-23-19)20(27)26-12-10-25(11-13-26)16-17-6-4-3-5-7-17/h3-7,14-15H,8-13,16H2,1-2H3,(H,21,23)
InChIKeyYPACFTFOEDFZKI-UHFFFAOYSA-N
MW368.49 g/mol
LogP1.41
Rot. Bonds7

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

(4-benzylpiperazin-1-yl)-[5-[2-(dimethylamino)ethylamino]pyrazin-2-yl]methanone (PubChem CID 109277312) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-[5-[2-(dimethylamino)ethylamino]pyrazin-2-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-[5-[2-(dimethylamino)ethylamino]pyrazin-2-yl]methanone
PubChem CID109277312
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC Name(4-benzylpiperazin-1-yl)-[5-[2-(dimethylamino)ethylamino]pyrazin-2-yl]methanone
SMILESCN(C)CCNc1cnc(C(=O)N2CCN(Cc3ccccc3)CC2)cn1
InChIInChI=1S/C20H28N6O/c1-24(2)9-8-21-19-15-22-18(14-23-19)20(27)26-12-10-25(11-13-26)16-17-6-4-3-5-7-17/h3-7,14-15H,8-13,16H2,1-2H3,(H,21,23)
InChIKeyYPACFTFOEDFZKI-UHFFFAOYSA-N
XLogP1.41
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

azepan-1-yl-[5-(2-phenylethylamino)pyrazin-2-yl]methanone
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4-[5-(3-phenylpropylamino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde
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(4-ethylpiperazin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone
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[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(4-ethylpiperazin-1-yl)methanone
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[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 109278104
(4-benzylpiperazin-1-yl)-[6-(3-methylbutylamino)-3-pyridinyl]methanone
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(4-benzylpiperazin-1-yl)-[6-(pentylamino)-3-pyridinyl]methanone
CID 109159554
(4-benzylpiperazin-1-yl)-[5-[3-(dimethylamino)propylamino]-3-pyridinyl]methanone
CID 109229924
[5-[2-(dimethylamino)ethylamino]pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109277439
(5-anilinopyrazin-2-yl)-(4-ethylpiperazin-1-yl)methanone
CID 109278481
(4-ethylpiperazin-1-yl)-[5-[2-(2-methoxyphenyl)ethylamino]pyrazin-2-yl]methanone
CID 109278444
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[5-(2-methylpropylamino)pyrazin-2-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-[5-[2-(dimethylamino)ethylamino]pyrazin-2-yl]methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-[5-[2-(dimethylamino)ethylamino]pyrazin-2-yl]methanone (CID 109277312) is (4-benzylpiperazin-1-yl)-[5-[2-(dimethylamino)ethylamino]pyrazin-2-yl]methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-[5-[2-(dimethylamino)ethylamino]pyrazin-2-yl]methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-[5-[2-(dimethylamino)ethylamino]pyrazin-2-yl]methanone is CN(C)CCNc1cnc(C(=O)N2CCN(Cc3ccccc3)CC2)cn1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-[5-[2-(dimethylamino)ethylamino]pyrazin-2-yl]methanone?
The InChIKey is YPACFTFOEDFZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/c1-24(2)9-8-21-19-15-22-18(14-23-19)20(27)26-12-10-25(11-13-26)16-17-6-4-3-5-7-17/h3-7,14-15H,8-13,16H2,1-2H3,(H,21,23).
What are the key properties of (4-benzylpiperazin-1-yl)-[5-[2-(dimethylamino)ethylamino]pyrazin-2-yl]methanone?
(4-benzylpiperazin-1-yl)-[5-[2-(dimethylamino)ethylamino]pyrazin-2-yl]methanone has a molecular weight of 368.49 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-[5-[2-(dimethylamino)ethylamino]pyrazin-2-yl]methanone is sourced from PubChem (CID 109277312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).