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

C20H26N6O — CID 109278105

IUPAC(4-methylpiperazin-1-yl)-[5-(4-phenylpiperazin-1-yl)pyrazin-2-yl]methanone
SMILESCN1CCN(C(=O)c2cnc(N3CCN(c4ccccc4)CC3)cn2)CC1
InChIInChI=1S/C20H26N6O/c1-23-7-9-26(10-8-23)20(27)18-15-22-19(16-21-18)25-13-11-24(12-14-25)17-5-3-2-4-6-17/h2-6,15-16H,7-14H2,1H3
InChIKeyLKZTZBCTBOTSLP-UHFFFAOYSA-N
MW366.47 g/mol
LogP1.19
Rot. Bonds3

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

(4-methylpiperazin-1-yl)-[5-(4-phenylpiperazin-1-yl)pyrazin-2-yl]methanone (PubChem CID 109278105) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[5-(4-phenylpiperazin-1-yl)pyrazin-2-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[5-(4-phenylpiperazin-1-yl)pyrazin-2-yl]methanone
PubChem CID109278105
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name(4-methylpiperazin-1-yl)-[5-(4-phenylpiperazin-1-yl)pyrazin-2-yl]methanone
SMILESCN1CCN(C(=O)c2cnc(N3CCN(c4ccccc4)CC3)cn2)CC1
InChIInChI=1S/C20H26N6O/c1-23-7-9-26(10-8-23)20(27)18-15-22-19(16-21-18)25-13-11-24(12-14-25)17-5-3-2-4-6-17/h2-6,15-16H,7-14H2,1H3
InChIKeyLKZTZBCTBOTSLP-UHFFFAOYSA-N
XLogP1.19
TPSA55.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(4-phenylpiperazin-1-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273545
morpholin-4-yl-[5-(4-phenylpiperazin-1-yl)pyrazin-2-yl]methanone
CID 109276422
[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 109278104
[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109116154
[2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109367040
[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109366887
5-(4-methylpiperazin-1-yl)pyrazine-2-carboxylic acid;dihydrochloride
CID 170916735
[5-(azepan-1-yl)pyrazin-2-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 109286464
(5-morpholin-4-ylpyrazin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109276621
[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109278450
(4-methylpiperazin-1-yl)-[5-(4-phenylpiperazine-1-carbonyl)-3-pyridinyl]methanone
CID 109104427
morpholin-4-yl-[5-(4-pyridin-2-ylpiperazin-1-yl)pyrazin-2-yl]methanone
CID 109276440

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[5-(4-phenylpiperazin-1-yl)pyrazin-2-yl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[5-(4-phenylpiperazin-1-yl)pyrazin-2-yl]methanone (CID 109278105) is (4-methylpiperazin-1-yl)-[5-(4-phenylpiperazin-1-yl)pyrazin-2-yl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[5-(4-phenylpiperazin-1-yl)pyrazin-2-yl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[5-(4-phenylpiperazin-1-yl)pyrazin-2-yl]methanone is CN1CCN(C(=O)c2cnc(N3CCN(c4ccccc4)CC3)cn2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[5-(4-phenylpiperazin-1-yl)pyrazin-2-yl]methanone?
The InChIKey is LKZTZBCTBOTSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c1-23-7-9-26(10-8-23)20(27)18-15-22-19(16-21-18)25-13-11-24(12-14-25)17-5-3-2-4-6-17/h2-6,15-16H,7-14H2,1H3.
What are the key properties of (4-methylpiperazin-1-yl)-[5-(4-phenylpiperazin-1-yl)pyrazin-2-yl]methanone?
(4-methylpiperazin-1-yl)-[5-(4-phenylpiperazin-1-yl)pyrazin-2-yl]methanone has a molecular weight of 366.47 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[5-(4-phenylpiperazin-1-yl)pyrazin-2-yl]methanone is sourced from PubChem (CID 109278105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).