[1-(3-chlorophenyl)cyclobutyl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone

C20H23ClN4O2 — CID 86958892

IUPAC[1-(3-chlorophenyl)cyclobutyl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone
SMILESCOc1cncc(N2CCN(C(=O)C3(c4cccc(Cl)c4)CCC3)CC2)n1
InChIInChI=1S/C20H23ClN4O2/c1-27-18-14-22-13-17(23-18)24-8-10-25(11-9-24)19(26)20(6-3-7-20)15-4-2-5-16(21)12-15/h2,4-5,12-14H,3,6-11H2,1H3
InChIKeyGLBUYQLDBZBRSZ-UHFFFAOYSA-N
MW386.88 g/mol
LogP2.91
Rot. Bonds4

About [1-(3-chlorophenyl)cyclobutyl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone

[1-(3-chlorophenyl)cyclobutyl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone (PubChem CID 86958892) has the molecular formula C20H23ClN4O2 and a molecular weight of 386.88 g/mol. Its IUPAC name is [1-(3-chlorophenyl)cyclobutyl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(3-chlorophenyl)cyclobutyl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone
PubChem CID86958892
Molecular FormulaC20H23ClN4O2
Molecular Weight386.88 g/mol
Exact Mass386.15
IUPAC Name[1-(3-chlorophenyl)cyclobutyl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone
SMILESCOc1cncc(N2CCN(C(=O)C3(c4cccc(Cl)c4)CCC3)CC2)n1
InChIInChI=1S/C20H23ClN4O2/c1-27-18-14-22-13-17(23-18)24-8-10-25(11-9-24)19(26)20(6-3-7-20)15-4-2-5-16(21)12-15/h2,4-5,12-14H,3,6-11H2,1H3
InChIKeyGLBUYQLDBZBRSZ-UHFFFAOYSA-N
XLogP2.91
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-(3-chlorophenyl)cyclobutyl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone
CID 86958922
[1-(3-chlorophenyl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone
CID 110436800
[1-(3-chlorophenyl)cyclobutyl]-(4-methylpiperidin-1-yl)methanone
CID 134018025
[1-(3-chlorophenyl)cyclopentyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 55687550
[1-(3-chlorophenyl)cyclohexyl]-(4-methoxypiperidin-1-yl)methanone
CID 134048238
[1-(3-chlorophenyl)cyclohexyl]-piperazin-1-ylmethanone
CID 119401673
1-[1-(3-chlorophenyl)cyclohexanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251972
6-[1-(3-chlorophenyl)cyclopentanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174947
furan-2-yl-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone
CID 171690760
2-[4-[1-(3-chlorophenyl)cyclobutanecarbonyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 47020973
[1-(2,6-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone
CID 86958964
[1-(3-chlorophenyl)cyclopropyl]-[(4R)-4-methylazepan-1-yl]methanone
CID 97023604

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)cyclobutyl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone?
The IUPAC name of [1-(3-chlorophenyl)cyclobutyl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone (CID 86958892) is [1-(3-chlorophenyl)cyclobutyl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-(3-chlorophenyl)cyclobutyl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for [1-(3-chlorophenyl)cyclobutyl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone is COc1cncc(N2CCN(C(=O)C3(c4cccc(Cl)c4)CCC3)CC2)n1.
What is the InChIKey of [1-(3-chlorophenyl)cyclobutyl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone?
The InChIKey is GLBUYQLDBZBRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O2/c1-27-18-14-22-13-17(23-18)24-8-10-25(11-9-24)19(26)20(6-3-7-20)15-4-2-5-16(21)12-15/h2,4-5,12-14H,3,6-11H2,1H3.
What are the key properties of [1-(3-chlorophenyl)cyclobutyl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone?
[1-(3-chlorophenyl)cyclobutyl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone has a molecular weight of 386.88 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)cyclobutyl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 86958892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).