methyl 4-(3-methylquinoxalin-2-yl)piperazine-1-carboxylate

C15H18N4O2 — CID 108741258

IUPACmethyl 4-(3-methylquinoxalin-2-yl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(c2nc3ccccc3nc2C)CC1
InChIInChI=1S/C15H18N4O2/c1-11-14(17-13-6-4-3-5-12(13)16-11)18-7-9-19(10-8-18)15(20)21-2/h3-6H,7-10H2,1-2H3
InChIKeyKAPAELSXKPJPBY-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.83
Rot. Bonds1

About methyl 4-(3-methylquinoxalin-2-yl)piperazine-1-carboxylate

methyl 4-(3-methylquinoxalin-2-yl)piperazine-1-carboxylate (PubChem CID 108741258) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is methyl 4-(3-methylquinoxalin-2-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-methylquinoxalin-2-yl)piperazine-1-carboxylate
PubChem CID108741258
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Namemethyl 4-(3-methylquinoxalin-2-yl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(c2nc3ccccc3nc2C)CC1
InChIInChI=1S/C15H18N4O2/c1-11-14(17-13-6-4-3-5-12(13)16-11)18-7-9-19(10-8-18)15(20)21-2/h3-6H,7-10H2,1-2H3
InChIKeyKAPAELSXKPJPBY-UHFFFAOYSA-N
XLogP1.83
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[4-(3-methylquinoxalin-2-yl)piperazine-1-carbonyl]benzoate
CID 108741319
N,N-diethyl-4-(3-methylquinoxalin-2-yl)piperazine-1-carboxamide
CID 108741263
1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-2-phenylethanone
CID 108763798
1-(4-methoxyphenyl)-4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]butane-1,4-dione
CID 108741298
[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 108741320
2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]propanoic acid
CID 82167536
N-(2-fluorophenyl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]acetamide
CID 133417231
[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 46093497
(3-chlorophenyl)-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]methanone
CID 30510743
(E)-3-(3,4-dimethoxyphenyl)-1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]prop-2-en-1-one
CID 108763833
methyl 2-(2-chlorophenyl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]acetate
CID 42891125
2-(3,4-dimethylphenoxy)-1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanone
CID 108763865

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-methylquinoxalin-2-yl)piperazine-1-carboxylate?
The IUPAC name of methyl 4-(3-methylquinoxalin-2-yl)piperazine-1-carboxylate (CID 108741258) is methyl 4-(3-methylquinoxalin-2-yl)piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-(3-methylquinoxalin-2-yl)piperazine-1-carboxylate?
The canonical SMILES for methyl 4-(3-methylquinoxalin-2-yl)piperazine-1-carboxylate is COC(=O)N1CCN(c2nc3ccccc3nc2C)CC1.
What is the InChIKey of methyl 4-(3-methylquinoxalin-2-yl)piperazine-1-carboxylate?
The InChIKey is KAPAELSXKPJPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-11-14(17-13-6-4-3-5-12(13)16-11)18-7-9-19(10-8-18)15(20)21-2/h3-6H,7-10H2,1-2H3.
What are the key properties of methyl 4-(3-methylquinoxalin-2-yl)piperazine-1-carboxylate?
methyl 4-(3-methylquinoxalin-2-yl)piperazine-1-carboxylate has a molecular weight of 286.33 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-methylquinoxalin-2-yl)piperazine-1-carboxylate is sourced from PubChem (CID 108741258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).