[5-[butyl(methyl)amino]pyrazin-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone

C20H26FN5O — CID 109285588

IUPAC[5-[butyl(methyl)amino]pyrazin-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESCCCCN(C)c1cnc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C20H26FN5O/c1-3-4-9-24(2)19-15-22-18(14-23-19)20(27)26-12-10-25(11-13-26)17-7-5-16(21)6-8-17/h5-8,14-15H,3-4,9-13H2,1-2H3
InChIKeyMKWNXNGAVYNTKA-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.81
Rot. Bonds6

About [5-[butyl(methyl)amino]pyrazin-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone

[5-[butyl(methyl)amino]pyrazin-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 109285588) has the molecular formula C20H26FN5O and a molecular weight of 371.46 g/mol. Its IUPAC name is [5-[butyl(methyl)amino]pyrazin-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-[butyl(methyl)amino]pyrazin-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
PubChem CID109285588
Molecular FormulaC20H26FN5O
Molecular Weight371.46 g/mol
Exact Mass371.21
IUPAC Name[5-[butyl(methyl)amino]pyrazin-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESCCCCN(C)c1cnc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C20H26FN5O/c1-3-4-9-24(2)19-15-22-18(14-23-19)20(27)26-12-10-25(11-13-26)17-7-5-16(21)6-8-17/h5-8,14-15H,3-4,9-13H2,1-2H3
InChIKeyMKWNXNGAVYNTKA-UHFFFAOYSA-N
XLogP2.81
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[butyl(methyl)amino]pyrazin-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109285959
[5-(tert-butylamino)pyrazin-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109285584
[5-[butyl(methyl)amino]-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109194515
[4-(4-fluorophenyl)piperazin-1-yl]-[5-(N-methylanilino)-2-pyridinyl]methanone
CID 109193488
[5-[butyl(methyl)amino]pyrazin-2-yl]-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109287203
[5-(4-fluoroanilino)-2-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109193490
(5-anilinopyrazin-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109285593
N-butyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-methylacetamide
CID 109002192
1-[4-(4-fluorophenyl)piperazin-1-yl]hexan-1-one
CID 591294
[4-(4-fluorophenyl)piperazin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 110697414
1-[4-(4-fluorophenyl)piperazin-1-yl]decan-1-one
CID 3670051
1-[4-(4-fluorophenyl)piperazin-1-yl]octan-1-one
CID 4161880

Frequently Asked Questions

What is the IUPAC name of [5-[butyl(methyl)amino]pyrazin-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [5-[butyl(methyl)amino]pyrazin-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone (CID 109285588) is [5-[butyl(methyl)amino]pyrazin-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [5-[butyl(methyl)amino]pyrazin-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [5-[butyl(methyl)amino]pyrazin-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone is CCCCN(C)c1cnc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cn1.
What is the InChIKey of [5-[butyl(methyl)amino]pyrazin-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is MKWNXNGAVYNTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O/c1-3-4-9-24(2)19-15-22-18(14-23-19)20(27)26-12-10-25(11-13-26)17-7-5-16(21)6-8-17/h5-8,14-15H,3-4,9-13H2,1-2H3.
What are the key properties of [5-[butyl(methyl)amino]pyrazin-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
[5-[butyl(methyl)amino]pyrazin-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 371.46 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[butyl(methyl)amino]pyrazin-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 109285588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).