(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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).