1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-2-phenylethanone

C21H22N4O — CID 108763798

IUPAC1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-2-phenylethanone
SMILESCc1nc2ccccc2nc1N1CCN(C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C21H22N4O/c1-16-21(23-19-10-6-5-9-18(19)22-16)25-13-11-24(12-14-25)20(26)15-17-7-3-2-4-8-17/h2-10H,11-15H2,1H3
InChIKeyXSAUMWNLXPKGSY-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.83
Rot. Bonds3

About 1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-2-phenylethanone

1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-2-phenylethanone (PubChem CID 108763798) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-2-phenylethanone
PubChem CID108763798
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-2-phenylethanone
SMILESCc1nc2ccccc2nc1N1CCN(C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C21H22N4O/c1-16-21(23-19-10-6-5-9-18(19)22-16)25-13-11-24(12-14-25)20(26)15-17-7-3-2-4-8-17/h2-10H,11-15H2,1H3
InChIKeyXSAUMWNLXPKGSY-UHFFFAOYSA-N
XLogP2.83
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenyl)-1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanone
CID 133324787
1-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-phenylethanone
CID 142220575
methyl 4-(3-methylquinoxalin-2-yl)piperazine-1-carboxylate
CID 108741258
N,N-diethyl-4-(3-methylquinoxalin-2-yl)piperazine-1-carboxamide
CID 108741263
1-[4-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-phenylethanone
CID 133328432
2-(3,4-dimethylphenoxy)-1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanone
CID 108763865
1-(4-methoxyphenyl)-4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]butane-1,4-dione
CID 108741298
2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]propanoic acid
CID 82167536
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanone
CID 39999948
2-(4-fluorophenyl)-1-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]ethanone
CID 46093552
1-[4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-phenylethanone
CID 1027480
1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-dione
CID 108741269

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-2-phenylethanone (CID 108763798) is 1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-2-phenylethanone is Cc1nc2ccccc2nc1N1CCN(C(=O)Cc2ccccc2)CC1.
What is the InChIKey of 1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-2-phenylethanone?
The InChIKey is XSAUMWNLXPKGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-16-21(23-19-10-6-5-9-18(19)22-16)25-13-11-24(12-14-25)20(26)15-17-7-3-2-4-8-17/h2-10H,11-15H2,1H3.
What are the key properties of 1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-2-phenylethanone?
1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-2-phenylethanone has a molecular weight of 346.43 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-2-phenylethanone is sourced from PubChem (CID 108763798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).