[4-(2-fluorophenyl)piperazin-1-yl]-[5-(3-methylbutylamino)pyrazin-2-yl]methanone

C20H26FN5O — CID 109286479

IUPAC[4-(2-fluorophenyl)piperazin-1-yl]-[5-(3-methylbutylamino)pyrazin-2-yl]methanone
SMILESCC(C)CCNc1cnc(C(=O)N2CCN(c3ccccc3F)CC2)cn1
InChIInChI=1S/C20H26FN5O/c1-15(2)7-8-22-19-14-23-17(13-24-19)20(27)26-11-9-25(10-12-26)18-6-4-3-5-16(18)21/h3-6,13-15H,7-12H2,1-2H3,(H,22,24)
InChIKeyCCBZMUWXGDAOMU-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.04
Rot. Bonds6

About [4-(2-fluorophenyl)piperazin-1-yl]-[5-(3-methylbutylamino)pyrazin-2-yl]methanone

[4-(2-fluorophenyl)piperazin-1-yl]-[5-(3-methylbutylamino)pyrazin-2-yl]methanone (PubChem CID 109286479) has the molecular formula C20H26FN5O and a molecular weight of 371.46 g/mol. Its IUPAC name is [4-(2-fluorophenyl)piperazin-1-yl]-[5-(3-methylbutylamino)pyrazin-2-yl]methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)piperazin-1-yl]-[5-(3-methylbutylamino)pyrazin-2-yl]methanone
PubChem CID109286479
Molecular FormulaC20H26FN5O
Molecular Weight371.46 g/mol
Exact Mass371.21
IUPAC Name[4-(2-fluorophenyl)piperazin-1-yl]-[5-(3-methylbutylamino)pyrazin-2-yl]methanone
SMILESCC(C)CCNc1cnc(C(=O)N2CCN(c3ccccc3F)CC2)cn1
InChIInChI=1S/C20H26FN5O/c1-15(2)7-8-22-19-14-23-17(13-24-19)20(27)26-11-9-25(10-12-26)18-6-4-3-5-16(18)21/h3-6,13-15H,7-12H2,1-2H3,(H,22,24)
InChIKeyCCBZMUWXGDAOMU-UHFFFAOYSA-N
XLogP3.04
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(3-methylbutylamino)pyrazin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109286649
[5-(3-methylbutylamino)pyrazin-2-yl]-piperidin-1-ylmethanone
CID 109274331
[5-(cyclohexylamino)pyrazin-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109274875
[4-(2-fluorophenyl)piperazin-1-yl]-[5-(furan-2-ylmethylamino)pyrazin-2-yl]methanone
CID 109279509
1-[4-[5-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carbonyl]piperazin-1-yl]ethanone
CID 109279048
[4-(2-fluorophenyl)piperazin-1-yl]-[6-(2-methoxyethylamino)-3-pyridinyl]methanone
CID 109152902
[5-[2-(2-fluorophenyl)ethylamino]pyrazin-2-yl]-piperidin-1-ylmethanone
CID 109274295
[4-(2-fluorophenyl)piperazin-1-yl]-[6-(2-methoxyethylamino)pyrimidin-4-yl]methanone
CID 109342792
[4-(2-fluorophenyl)piperazin-1-yl]-[6-(pentylamino)pyrimidin-4-yl]methanone
CID 109353033
[6-(butan-2-ylamino)pyrimidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109340634
[5-[2-(2-fluorophenyl)ethylamino]pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 109275035
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[6-(3-methylbutylamino)pyridazin-3-yl]methanone
CID 109123993

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-[5-(3-methylbutylamino)pyrazin-2-yl]methanone?
The IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-[5-(3-methylbutylamino)pyrazin-2-yl]methanone (CID 109286479) is [4-(2-fluorophenyl)piperazin-1-yl]-[5-(3-methylbutylamino)pyrazin-2-yl]methanone.
What is the SMILES notation for [4-(2-fluorophenyl)piperazin-1-yl]-[5-(3-methylbutylamino)pyrazin-2-yl]methanone?
The canonical SMILES for [4-(2-fluorophenyl)piperazin-1-yl]-[5-(3-methylbutylamino)pyrazin-2-yl]methanone is CC(C)CCNc1cnc(C(=O)N2CCN(c3ccccc3F)CC2)cn1.
What is the InChIKey of [4-(2-fluorophenyl)piperazin-1-yl]-[5-(3-methylbutylamino)pyrazin-2-yl]methanone?
The InChIKey is CCBZMUWXGDAOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O/c1-15(2)7-8-22-19-14-23-17(13-24-19)20(27)26-11-9-25(10-12-26)18-6-4-3-5-16(18)21/h3-6,13-15H,7-12H2,1-2H3,(H,22,24).
What are the key properties of [4-(2-fluorophenyl)piperazin-1-yl]-[5-(3-methylbutylamino)pyrazin-2-yl]methanone?
[4-(2-fluorophenyl)piperazin-1-yl]-[5-(3-methylbutylamino)pyrazin-2-yl]methanone has a molecular weight of 371.46 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)piperazin-1-yl]-[5-(3-methylbutylamino)pyrazin-2-yl]methanone is sourced from PubChem (CID 109286479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).