(4-methylpiperazin-1-yl)-(6-naphthalen-1-ylpyrazin-2-yl)methanone

C20H20N4O — CID 119060088

IUPAC(4-methylpiperazin-1-yl)-(6-naphthalen-1-ylpyrazin-2-yl)methanone
SMILESCN1CCN(C(=O)c2cncc(-c3cccc4ccccc34)n2)CC1
InChIInChI=1S/C20H20N4O/c1-23-9-11-24(12-10-23)20(25)19-14-21-13-18(22-19)17-8-4-6-15-5-2-3-7-16(15)17/h2-8,13-14H,9-12H2,1H3
InChIKeyUDAOUWUSTNFTDF-UHFFFAOYSA-N
MW332.41 g/mol
LogP2.68
Rot. Bonds2

About (4-methylpiperazin-1-yl)-(6-naphthalen-1-ylpyrazin-2-yl)methanone

(4-methylpiperazin-1-yl)-(6-naphthalen-1-ylpyrazin-2-yl)methanone (PubChem CID 119060088) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(6-naphthalen-1-ylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(6-naphthalen-1-ylpyrazin-2-yl)methanone
PubChem CID119060088
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name(4-methylpiperazin-1-yl)-(6-naphthalen-1-ylpyrazin-2-yl)methanone
SMILESCN1CCN(C(=O)c2cncc(-c3cccc4ccccc34)n2)CC1
InChIInChI=1S/C20H20N4O/c1-23-9-11-24(12-10-23)20(25)19-14-21-13-18(22-19)17-8-4-6-15-5-2-3-7-16(15)17/h2-8,13-14H,9-12H2,1H3
InChIKeyUDAOUWUSTNFTDF-UHFFFAOYSA-N
XLogP2.68
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(2,3-dimethylphenyl)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 50948310
(4-methylpiperazin-1-yl)-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazin-2-yl]methanone
CID 66556102
[6-[2-(2-methylpropoxy)phenyl]pyrazin-2-yl]-morpholin-4-ylmethanone
CID 121497470
(4-methyl-1,4-diazepan-1-yl)-(6-pyrimidin-5-yl-2-pyridinyl)methanone
CID 110131426
[4-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95819757
[6-[3-fluoro-4-(1-propan-2-ylimidazol-2-yl)phenyl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 165420698
[1-[[3-[(4-methylphenyl)methyl]imidazol-4-yl]methyl]-4-naphthalen-1-ylpyrrol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 22891988
(4-methylpiperazin-1-yl)-[2-naphthalen-1-yl-1-(naphthalen-1-ylmethyl)benzimidazol-5-yl]methanone
CID 155598879
(4-methylpiperazin-1-yl)-[6-(2-methylpropyl)-2-pyridinyl]methanone
CID 178019569
[6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109096664
(4-methylpiperazin-1-yl)-(1-methylpyrazol-3-yl)methanone
CID 2172453
[1-[1-(1H-imidazol-5-yl)-3-phenylpropyl]-4-naphthalen-1-ylpyrrol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 18673641

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-(6-naphthalen-1-ylpyrazin-2-yl)methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-(6-naphthalen-1-ylpyrazin-2-yl)methanone (CID 119060088) is (4-methylpiperazin-1-yl)-(6-naphthalen-1-ylpyrazin-2-yl)methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(6-naphthalen-1-ylpyrazin-2-yl)methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-(6-naphthalen-1-ylpyrazin-2-yl)methanone is CN1CCN(C(=O)c2cncc(-c3cccc4ccccc34)n2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-(6-naphthalen-1-ylpyrazin-2-yl)methanone?
The InChIKey is UDAOUWUSTNFTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-23-9-11-24(12-10-23)20(25)19-14-21-13-18(22-19)17-8-4-6-15-5-2-3-7-16(15)17/h2-8,13-14H,9-12H2,1H3.
What are the key properties of (4-methylpiperazin-1-yl)-(6-naphthalen-1-ylpyrazin-2-yl)methanone?
(4-methylpiperazin-1-yl)-(6-naphthalen-1-ylpyrazin-2-yl)methanone has a molecular weight of 332.41 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(6-naphthalen-1-ylpyrazin-2-yl)methanone is sourced from PubChem (CID 119060088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).