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

C22H30N6O — CID 109278450

IUPAC[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cnc(N3CCN(Cc4ccccc4)CC3)cn2)CC1
InChIInChI=1S/C22H30N6O/c1-2-25-8-14-28(15-9-25)22(29)20-16-24-21(17-23-20)27-12-10-26(11-13-27)18-19-6-4-3-5-7-19/h3-7,16-17H,2,8-15,18H2,1H3
InChIKeyQRNGZYUGOBNBBX-UHFFFAOYSA-N
MW394.52 g/mol
LogP1.58
Rot. Bonds5

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

[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(4-ethylpiperazin-1-yl)methanone (PubChem CID 109278450) has the molecular formula C22H30N6O and a molecular weight of 394.52 g/mol. Its IUPAC name is [5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(4-ethylpiperazin-1-yl)methanone
PubChem CID109278450
Molecular FormulaC22H30N6O
Molecular Weight394.52 g/mol
Exact Mass394.25
IUPAC Name[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cnc(N3CCN(Cc4ccccc4)CC3)cn2)CC1
InChIInChI=1S/C22H30N6O/c1-2-25-8-14-28(15-9-25)22(29)20-16-24-21(17-23-20)27-12-10-26(11-13-27)18-19-6-4-3-5-7-19/h3-7,16-17H,2,8-15,18H2,1H3
InChIKeyQRNGZYUGOBNBBX-UHFFFAOYSA-N
XLogP1.58
TPSA55.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 109278104
azepan-1-yl-[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]methanone
CID 109285483
[5-(4-ethylpiperazin-1-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273513
(4-ethylpiperazin-1-yl)-[5-(4-methylpiperidin-1-yl)pyrazin-2-yl]methanone
CID 109275194
[2-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109302552
5-(4-benzylpiperazin-1-yl)-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 109272774
[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109285489
(4-methylpiperazin-1-yl)-[5-(4-phenylpiperazin-1-yl)pyrazin-2-yl]methanone
CID 109278105
2-(4-benzylpiperazin-1-yl)-5-methylpyrazine
CID 67976848
(4-benzylpiperazin-1-yl)-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]methanone
CID 109116153
(5-anilinopyrazin-2-yl)-(4-ethylpiperazin-1-yl)methanone
CID 109278481
[5-(4-phenylpiperazin-1-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273545

Frequently Asked Questions

What is the IUPAC name of [5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of [5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(4-ethylpiperazin-1-yl)methanone (CID 109278450) is [5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2cnc(N3CCN(Cc4ccccc4)CC3)cn2)CC1.
What is the InChIKey of [5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is QRNGZYUGOBNBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O/c1-2-25-8-14-28(15-9-25)22(29)20-16-24-21(17-23-20)27-12-10-26(11-13-27)18-19-6-4-3-5-7-19/h3-7,16-17H,2,8-15,18H2,1H3.
What are the key properties of [5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(4-ethylpiperazin-1-yl)methanone?
[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 394.52 g/mol, XLogP of 1.58, 5 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-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 109278450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).